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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: DB03667
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03667 Acetic Acid Salicyloyl-Amino-Ester Thumb


1 known interactions (targets) of input drug (DB03667): Acetic Acid Salicyloyl-Amino-Ester
No. Gene UniProt ID Protein Name Pathway PDB
1 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA


20 predicted interactions (targets) of input drug (DB03667): Acetic Acid Salicyloyl-Amino-Ester
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 60.1%
2 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 22.5%
3 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 19.6%
4 NFKB1 P19838 Nuclear factor NF-kappa-B p105 subunit hsa01523; hsa04010; hsa04014; hsa04024; hsa04062; hsa04064; hsa04066; hsa04071; hsa04151; hsa04210; hsa04211; hsa04218; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04722; hsa04917; hsa04920; hsa04926; hsa04931; hsa04932; hsa04933; hsa05030; hsa05120; hsa05131; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05202; hsa05203; hsa05206; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05321; hsa05418 1MDI; 1MDJ; 1MDK; 1NFI; 1SVC; 2DBF; 2O61; 3GUT 15.5%
5 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 15.1%
6 CHEK1 O14757 Serine/threonine-protein kinase Chk1 hsa04110; hsa04115; hsa04218; hsa05166; hsa05170; hsa05203 13.0%
7 KCNQ2 O43526 Potassium voltage-gated channel subfamily KQT member 2 hsa04725 NA 12.8%
8 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 12.7%
9 NFKB2 Q00653 Nuclear factor NF-kappa-B p100 subunit hsa04010; hsa04064; hsa04380; hsa04625; hsa05134; hsa05166; hsa05169; hsa05200; hsa05203; hsa05224 1A3Q; 2D96; 3DO7; 4OT9 12.7%
10 SLC7A11 Q9UPY5 Cystine/glutamate transporter hsa04216 NA 12.4%
11 PPP1CC P36873 Serine/threonine-protein phosphatase PP1-gamma catalytic subunit hsa03015; hsa04022; hsa04024; hsa04114; hsa04218; hsa04261; hsa04270; hsa04390; hsa04510; hsa04611; hsa04720; hsa04728; hsa04750; hsa04810; hsa04910; hsa04921; hsa04931; hsa05031; hsa05034; hsa05168; hsa05205 1IT6; 1JK7; 1U32; 2BCD; 2BDX; 4UT2; 4UT3 12.2%
12 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221 11.8%
13 PNLIP P16233 Pancreatic triacylglycerol lipase hsa00561; hsa01100; hsa04972; hsa04975; hsa04977 1LPA; 1LPB; 1N8S 11.5%
14 CD274 Q9NZQ7 Programmed cell death 1 ligand 1 hsa04514 3BIK; 3BIS; 3FN3; 3SBW; 4Z18; 4ZQK; 5C3T 11.4%
15 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 11.2%
16 PYGL P06737 Glycogen phosphorylase, liver form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1EM6; 1EXV; 1FA9; 1FC0; 1L5Q; 1L5R; 1L5S; 1L7X; 1XOI; 2ATI; 2QLL; 2ZB2; 3CEH; 3CEJ; 3CEM; 3DD1; 3DDS; 3DDW 11.0%
17 MMP13 P45452 Collagenase 3 hsa04657; hsa04926; hsa04928 11.0%
18 BCL2 P10415 Apoptosis regulator Bcl-2 hsa01521; hsa01522; hsa01524; hsa04064; hsa04066; hsa04071; hsa04115; hsa04140; hsa04141; hsa04151; hsa04210; hsa04215; hsa04217; hsa04261; hsa04340; hsa04510; hsa04621; hsa04630; hsa04722; hsa04725; hsa04915; hsa04928; hsa04933; hsa05014; hsa05145; hsa05152; hsa05161; hsa05169; hsa05170; hsa05200; hsa05206; hsa05210; hsa05215; hsa05222; hsa05226; hsa05418 1G5M; 1GJH; 1YSW; 2O21; 2O22; 2O2F; 2W3L; 2XA0; 4AQ3; 4IEH; 4LVT; 4LXD; 4MAN; 5AGW; 5AGX 10.7%
19 CTSK P43235 Cathepsin K hsa04142; hsa04210; hsa04380; hsa04620; hsa05323 10.7%
20 THRB P10828 Thyroid hormone receptor beta hsa04080; hsa04919 1BSX; 1N46; 1NAX; 1NQ0; 1NQ1; 1NQ2; 1NUO; 1Q4X; 1R6G; 1XZX; 1Y0X; 2J4A; 2NLL; 2PIN; 3D57; 3GWS; 3IMY; 3JZC; 4ZO1 10.7%


  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.