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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB01126
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved;
SmallMoleculeDrug DB01126 Dutasteride Thumb

2 known interactions (targets) of input drug (DB01126): Dutasteride
No. Gene UniProt ID Protein Name Pathway PDB
1 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA
2 SRD5A2 P31213 3-oxo-5-alpha-steroid 4-dehydrogenase 2 hsa00140; hsa05215 NA

20 predicted interactions (targets) of input drug (DB01126): Dutasteride
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 AKR1D1 P51857 3-oxo-5-beta-steroid 4-dehydrogenase hsa00120; hsa00140; hsa01100 3BUR; 3BUV; 3BV7; 3CAQ; 3CAS; 3CAV; 3CMF; 3COT; 3DOP; 3G1R; 3UZW; 3UZX; 3UZY; 3UZZ 33.2%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 31.9%
3 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 28.6%
4 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 28.6%
5 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 26.6%
6 CYP11B2 P19099 Cytochrome P450 11B2, mitochondrial hsa00140; hsa01100; hsa04925 4DVQ; 4FDH; 4ZGX 24.8%
7 CYP19A1 P11511 Aromatase hsa00140; hsa01100; hsa04913 1TQA; 3EQM; 3S79; 3S7S; 4GL5; 4GL7; 4KQ8 23.9%
8 MET P08581 Hepatocyte growth factor receptor hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04360; hsa04510; hsa04520; hsa05100; hsa05120; hsa05144; hsa05200; hsa05202; hsa05205; hsa05206; hsa05211; hsa05218; hsa05225; hsa05226; hsa05230 23.5%
9 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 23.3%
10 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 21.8%
11 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 20.1%
12 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 19.7%
13 CHRNA3 P32297 Neuronal acetylcholine receptor subunit alpha-3 hsa04080; hsa04725 4ZK4 18.1%
14 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 16.7%
15 CACNA1F O60840 Voltage-dependent L-type calcium channel subunit alpha-1F hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04723; hsa04725; hsa04726; hsa04727; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04934; hsa05010; hsa05410; hsa05412; hsa05414 NA 16.3%
16 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 16.3%
17 CACNB3 P54284 Voltage-dependent L-type calcium channel subunit beta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 16.1%
18 DPP4 P27487 Dipeptidyl peptidase 4 hsa04974 16.0%
19 CNR1 P21554 Cannabinoid receptor 1 hsa04015; hsa04080; hsa04714; hsa04723 1LVQ; 1LVR; 2B0Y; 2KOE 15.9%
20 QPCT Q16769 Glutaminyl-peptide cyclotransferase NA 15.9%


Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.


The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.