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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: DB01108
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational;
Vet approved;
Withdrawn
SmallMoleculeDrug DB01108 Trilostane Thumb


4 known interactions (targets) of input drug (DB01108): Trilostane
No. Gene UniProt ID Protein Name Pathway PDB
1 HSD3B2 P26439 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 hsa00140; hsa01100; hsa04913; hsa04925; hsa04927; hsa04934 NA
2 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
3 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224
4 HSD3B1 P14060 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 hsa00140; hsa01100; hsa04913; hsa04925; hsa04927; hsa04934 NA


20 predicted interactions (targets) of input drug (DB01108): Trilostane
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 43.1%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 39.5%
3 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 34.3%
4 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 31.5%
5 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 30.1%
6 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 26.4%
7 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 25.4%
8 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 22.2%
9 LY96 Q9Y6Y9 Lymphocyte antigen 96 hsa04064; hsa04620; hsa05130; hsa05133; hsa05145 1T2Z; 2E56; 2E59; 2Z65; 3FXI; 3ULA; 4G8A 20.9%
10 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 20.6%
11 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 20.0%
12 COL1A1 P02452 Collagen alpha-1(I) chain hsa04151; hsa04510; hsa04512; hsa04611; hsa04926; hsa04933; hsa04974; hsa05146; hsa05165 1Q7D; 2LLP; 3EJH; 3GXE 20.0%
13 CYP1B1 Q16678 Cytochrome P450 1B1 hsa00140; hsa00380; hsa00980; hsa04913; hsa05204; hsa05206 3PM0 19.7%
14 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 19.6%
15 ABO P16442 Histo-blood group ABO system transferase hsa00601; hsa01100 19.6%
16 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 19.3%
17 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA 19.2%
18 AKR1C1 Q04828 Aldo-keto reductase family 1 member C1 hsa00140; hsa00980 1MRQ; 3C3U; 3GUG; 3NTY 19.1%
19 ADH1A P07327 Alcohol dehydrogenase 1A hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1HSO; 1U3T 18.7%
20 CYP19A1 P11511 Aromatase hsa00140; hsa01100; hsa04913 1TQA; 3EQM; 3S79; 3S7S; 4GL5; 4GL7; 4KQ8 18.5%



  logl

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.

Contact:

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.