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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: DB04540
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB04540 Cholesterol Thumb


4 known interactions (targets) of input drug (DB04540): Cholesterol
No. Gene UniProt ID Protein Name Pathway PDB
1 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP
2 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152
3 RORA P35398 Nuclear receptor ROR-alpha hsa04659; hsa04710; hsa05321 1N83; 1S0X; 4S15
4 CLEC4E Q9ULY5 C-type lectin domain family 4 member E hsa04625; hsa05152 3WH2; 3WH3


20 predicted interactions (targets) of input drug (DB04540): Cholesterol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 27.0%
2 CD19 P15391 B-lymphocyte antigen CD19 hsa04151; hsa04640; hsa04662; hsa05169; hsa05340 NA 25.7%
3 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 19.3%
4 FFAR4 Q5NUL3 Free fatty acid receptor 4 NA NA 17.7%
5 CFB P00751 Complement factor B hsa04610; hsa05150 1DLE; 1Q0P; 1RRK; 1RS0; 1RTK; 2OK5; 2WIN; 2XWB; 2XWJ; 3HRZ; 3HS0 17.3%
6 TPO P07202 Thyroid peroxidase hsa00350; hsa01100; hsa04918; hsa05320 NA 16.8%
7 PLAU P00749 Urokinase-type plasminogen activator hsa04064; hsa04610; hsa05202; hsa05205; hsa05206; hsa05215 16.4%
8 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 16.1%
9 SRC P12931 Proto-oncogene tyrosine-protein kinase Src hsa01521; hsa01522; hsa04012; hsa04015; hsa04062; hsa04137; hsa04144; hsa04360; hsa04370; hsa04510; hsa04520; hsa04530; hsa04540; hsa04611; hsa04625; hsa04727; hsa04750; hsa04810; hsa04912; hsa04915; hsa04917; hsa04919; hsa04921; hsa04926; hsa05100; hsa05120; hsa05131; hsa05152; hsa05161; hsa05163; hsa05167; hsa05203; hsa05205; hsa05219; hsa05418 15.9%
10 GC P02774 Vitamin D-binding protein NA 1J78; 1J7E; 1KW2; 1KXP; 1LOT; 1MA9 15.7%
11 PPARG P37231 Peroxisome proliferator-activated receptor gamma hsa03320; hsa04152; hsa04211; hsa04380; hsa04714; hsa05016; hsa05200; hsa05202; hsa05216
1FM6; 1FM9; 1I7I; 1K74; 1KNU; 1NYX; 1PRG; 1RDT; 1WM0; 1ZEO; 1ZGY; 2ATH; 2F4B; 2FVJ; 2G0G; 2G0H; 2GTK; 2HFP; 2HWQ; 2HWR; 2I4J; 2I4P; 2I4Z; 2OM9; 2P4Y; 2POB; 2PRG; 2Q59; 2Q5P; 2Q5S; 2Q61; 2Q6R; 2Q6S; 2Q8S; 2QMV; 2VSR; 2VST; 2VV0; 2VV1; 2VV2; 2VV3; 2VV4; 2XKW; 2YFE; 2ZK0; 2ZK1; 2ZK2; 2ZK3; 2ZK4; 2ZK5; 2ZK6; 2ZNO; 2ZVT; 3ADS; 3ADT; 3ADU; 3ADV; 3ADW; 3ADX; 3AN3; 3AN4; 3B0Q; 3B0R; 3B1M; 3B3K; 3BC5; 3CDP; 3CDS; 3CS8; 3CWD; 3D6D; 3DZU; 3DZY; 3E00; 3ET0; 3ET3; 3FEJ; 3FUR; 3G9E; 3GBK; 3H0A; 3HO0; 3HOD; 3IA6; 3K8S; 3KMG; 3LMP; 3NOA; 3OSI; 3OSW; 3PBA; 3PO9; 3PRG; 3QT0; 3R5N; 3R8A; 3R8I; 3S9S; 3SZ1; 3T03; 3TY0; 3U9Q; 3V9T; 3V9V; 3V9Y; 3VJH; 3VJI; 3VN2; 3VSO; 3VSP; 3WJ4; 3WJ5; 3WMH; 3X1H; 3X1I; 4A4V; 4A4W; 4CI5; 4E4K; 4E4Q; 4EM9; 4EMA; 4F9M; 4FGY; 4HEE; 4JAZ; 4JL4; 4L96; 4L98; 4O8F; 4OJ4; 4PRG; 4PVU; 4PWL; 4R2U; 4R6S; 4XLD; 4XTA; 4XUM; 4Y29
 15.7%
12 LHCGR P22888 Lutropin-choriogonadotropic hormone receptor hsa04020; hsa04080; hsa04913; hsa04917 1LUT; 1XUL 15.6%
13 QDPR P09417 Dihydropteridine reductase hsa00790; hsa01100 1HDR 15.2%
14 CBR1 P16152 Carbonyl reductase [NADPH] 1 hsa00590; hsa00790; hsa00980; hsa01100; hsa05204 1WMA; 2PFG; 3BHI; 3BHJ; 3BHM; 4Z3D 15.1%
15 GAPDHS O14556 Glyceraldehyde-3-phosphate dehydrogenase, testis-specific hsa00010; hsa01100 3H9E; 3PFW 15.0%
16 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2 14.8%
17 ESRRB O95718 Steroid hormone receptor ERR2 hsa04550 1LO1 14.6%
18 ABCC5 O15440 Multidrug resistance-associated protein 5 hsa01523; hsa02010 NA 14.4%
19 CYP24A1 Q07973 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial hsa00100; hsa01100; hsa04928; hsa05206 NA 14.1%
20 BCHE P06276 Cholinesterase NA 14.0%


  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.