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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: DB01406
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01406 Danazol Thumb


6 known interactions (targets) of input drug (DB01406): Danazol
No. Gene UniProt ID Protein Name Pathway PDB
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
2 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
3 GNRHR P30968 Gonadotropin-releasing hormone receptor hsa04080; hsa04912 NA
4 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215
5 CCL2 P13500 C-C motif chemokine 2 hsa04060; hsa04062; hsa04621; hsa04657; hsa04668; hsa04933; hsa05142; hsa05144; hsa05163; hsa05164; hsa05168; hsa05323; hsa05418 1DOK; 1DOL; 1DOM; 1DON; 1MCA; 1ML0; 2BDN; 2NZ1; 3IFD; 4DN4; 4R8I; 4ZK9
6 GNRHR2 Q96P88 Putative gonadotropin-releasing hormone II receptor NA NA


20 predicted interactions (targets) of input drug (DB01406): Danazol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 42.5%
2 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 41.0%
3 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 40.3%
4 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 38.9%
5 MMP12 P39900 Macrophage metalloelastase NA 23.1%
6 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 22.8%
7 EGFR P00533 Epidermal growth factor receptor hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04068; hsa04072; hsa04144; hsa04151; hsa04510; hsa04520; hsa04540; hsa04630; hsa04810; hsa04912; hsa04915; hsa04921; hsa04926; hsa04928; hsa04934; hsa05120; hsa05160; hsa05163; hsa05165; hsa05200; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 22.2%
8 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH 21.0%
9 FDX1 P10109 Adrenodoxin, mitochondrial NA 3N9Y; 3N9Z; 3NA0; 3NA1; 3P1M 19.2%
10 TRPV3 Q8NET8 Transient receptor potential cation channel subfamily V member 3 hsa04750 NA 18.8%
11 NPPB P16860 Natriuretic peptides B hsa04022 1YK1; 3N56 18.7%
12 EDNRA P25101 Endothelin-1 receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04270; hsa04924; hsa05200 NA 17.7%
13 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 17.6%
14 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152 17.2%
15 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 16.9%
16 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 16.3%
17 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 16.1%
18 PDCD1 Q15116 Programmed cell death protein 1 hsa04514; hsa04660 2M2D; 3RRQ; 4ZQK 15.5%
19 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 15.4%
20 GALE Q14376 UDP-glucose 4-epimerase hsa00052; hsa00520; hsa01100 1EK5; 1EK6; 1HZJ; 1I3K; 1I3L; 1I3M; 1I3N 15.3%


  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.