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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: DB00499
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00499 Flutamide Thumb


3 known interactions (targets) of input drug (DB00499): Flutamide
No. Gene UniProt ID Protein Name Pathway PDB
1 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA
2 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215
3 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA


20 predicted interactions (targets) of input drug (DB00499): Flutamide
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 41.7%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 37.8%
3 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 37.1%
4 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 37.1%
5 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 31.2%
6 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 22.1%
7 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 22.0%
8 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 20.7%
9 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 20.6%
10 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 20.2%
11 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 19.9%
12 CYP21A2 P08686 Steroid 21-hydroxylase hsa00140; hsa01100; hsa04925; hsa04927; hsa04934 2GEG; 4Y8W 19.9%
13 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 19.4%
14 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 19.2%
15 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 19.2%
16 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 18.9%
17 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 18.6%
18 DPYD Q12882 Dihydropyrimidine dehydrogenase [NADP(+)] hsa00240; hsa00410; hsa00770; hsa00983; hsa01100 NA 16.0%
19 mmp20 O43923 Matrix metalloproteinase-25 NA NA 15.8%
20 ESRRB O95718 Steroid hormone receptor ERR2 hsa04550 1LO1 15.4%


  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.