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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: DB00945
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Vet approved		 SmallMoleculeDrug DB00945 Acetylsalicylic acid Thumb


18 known interactions (targets) of input drug (DB00945): Acetylsalicylic acid
No. Gene UniProt ID Protein Name Pathway PDB
1 NFKBIA P25963 NF-kappa-B inhibitor alpha hsa04024; hsa04062; hsa04064; hsa04210; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04722; hsa04920; hsa04926; hsa04931; hsa05120; hsa05131; hsa05134; hsa05140; hsa05142; hsa05145; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05203; hsa05215; hsa05220; hsa05222 1IKN; 1NFI
2 PRKAG2 Q9UGJ0 5'-AMP-activated protein kinase subunit gamma-2 hsa04068; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410 NA
3 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
4 RPS6KA3 P51812 Ribosomal protein S6 kinase alpha-3 hsa04010; hsa04114; hsa04150; hsa04714; hsa04720; hsa04722; hsa04914; hsa04931 4D9T; 4D9U; 4JG6; 4JG7; 4JG8; 4NUS; 4NW5; 4NW6; 5D9K; 5D9L
5 PRKAG1 P54619 5'-AMP-activated protein kinase subunit gamma-1 hsa04068; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410 2UV4; 2UV5; 2UV6; 2UV7; 4CFE; 4CFF; 4RER; 4REW
6 IKBKB O14920 Inhibitor of nuclear factor kappa-B kinase subunit beta hsa01523; hsa04010; hsa04014; hsa04062; hsa04064; hsa04068; hsa04150; hsa04151; hsa04210; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04722; hsa04910; hsa04920; hsa04930; hsa04931; hsa04932; hsa05120; hsa05131; hsa05142; hsa05145; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05206; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05418 3BRT; 3BRV; 4E3C; 4KIK
7 NFKB2 Q00653 Nuclear factor NF-kappa-B p100 subunit hsa04010; hsa04064; hsa04380; hsa04625; hsa05134; hsa05166; hsa05169; hsa05200; hsa05203; hsa05224 1A3Q; 2D96; 3DO7; 4OT9
8 PRKAB1 Q9Y478 5'-AMP-activated protein kinase subunit beta-1 hsa04068; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410 4CFE; 4CFF
9 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
10 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA
11 PRKAA1 Q13131 5'-AMP-activated protein kinase catalytic subunit alpha-1 hsa04068; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410; hsa05418 4RED; 4RER; 4REW
12 PRKAG3 Q9UGI9 5'-AMP-activated protein kinase subunit gamma-3 hsa04068; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410 NA
13 PRKAA2 P54646 5'-AMP-activated protein kinase catalytic subunit alpha-2 hsa04068; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410; hsa05418 2H6D; 2LTU; 2YZA; 3AQV; 4CFE; 4CFF
14 EDNRA P25101 Endothelin-1 receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04270; hsa04924; hsa05200 NA
15 TP53 P04637 Cellular tumor antigen p53 hsa01522; hsa01524; hsa04010; hsa04071; hsa04110; hsa04115; hsa04137; hsa04151; hsa04210; hsa04211; hsa04216; hsa04218; hsa04310; hsa04722; hsa04919; hsa05014; hsa05016; hsa05160; hsa05161; hsa05162; hsa05163; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05200; hsa05202; hsa05203; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05217; hsa05218; hsa05219; hsa05220; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05418
16 HSPA5 P11021 78 kDa glucose-regulated protein hsa03060; hsa04141; hsa04612; hsa04918; hsa05020 3IUC; 3LDL; 3LDN; 3LDO; 3LDP
17 AKR1C1 Q04828 Aldo-keto reductase family 1 member C1 hsa00140; hsa00980 1MRQ; 3C3U; 3GUG; 3NTY
18 PRKAB2 O43741 5'-AMP-activated protein kinase subunit beta-2 hsa04068; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410 2F15; 2V8Q; 2V92; 2V9J; 2Y8L; 2Y8Q; 2YA3; 4CFH; 4EAI; 4EAJ; 4RER; 4REW


20 predicted interactions (targets) of input drug (DB00945): Acetylsalicylic acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 43.1%
2 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 42.2%
3 TYMS P04818 Thymidylate synthase hsa00240; hsa00670; hsa01100; hsa01523 40.5%
4 ORM2 P19652 Alpha-1-acid glycoprotein 2 NA 3APU; 3APV; 3APW; 3APX 35.3%
5 PIM1 P11309 Serine/threonine-protein kinase pim-1 hsa04630; hsa04933; hsa05200; hsa05206; hsa05221 34.3%
6 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 33.8%
7 ADK P55263 Adenosine kinase hsa00230; hsa01100 1BX4; 2I6A; 2I6B; 4O1L 33.3%
8 HRH3 Q9Y5N1 Histamine H3 receptor hsa04080 NA 32.6%
9 FAAH O00519 Fatty-acid amide hydrolase 1 hsa04723 NA 32.5%
10 ERBB2 P04626 Receptor tyrosine-protein kinase erbB-2 hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04020; hsa04066; hsa04151; hsa04510; hsa04520; hsa04530; hsa05200; hsa05205; hsa05206; hsa05212; hsa05213; hsa05215; hsa05219; hsa05223; hsa05224; hsa05226; hsa05230 32.4%
11 CHEK1 O14757 Serine/threonine-protein kinase Chk1 hsa04110; hsa04115; hsa04218; hsa05166; hsa05170; hsa05203 31.8%
12 GSK3B P49841 Glycogen synthase kinase-3 beta hsa01521; hsa04012; hsa04062; hsa04110; hsa04150; hsa04151; hsa04310; hsa04340; hsa04360; hsa04390; hsa04510; hsa04550; hsa04657; hsa04660; hsa04662; hsa04722; hsa04728; hsa04910; hsa04916; hsa04917; hsa04919; hsa04931; hsa04932; hsa04934; hsa05010; hsa05160; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05200; hsa05210; hsa05213; hsa05215; hsa05217; hsa05224; hsa05225; hsa05226 31.7%
13 F2R P25116 Proteinase-activated receptor 1 hsa04015; hsa04020; hsa04024; hsa04072; hsa04080; hsa04151; hsa04610; hsa04611; hsa04810; hsa05200 1NRN; 1NRO; 1NRP; 1NRQ; 1NRR; 3BEF; 3HKI; 3HKJ; 3LU9; 3VW7 29.5%
14 PTGDR2 Q9Y5Y4 Prostaglandin D2 receptor 2 NA NA 29.4%
15 PDPK1 O15530 3-phosphoinositide-dependent protein kinase 1 hsa01524; hsa03320; hsa04068; hsa04071; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04510; hsa04660; hsa04664; hsa04722; hsa04910; hsa04919; hsa04931; hsa04960; hsa05145; hsa05160; hsa05205; hsa05213; hsa05215; hsa05223; hsa05231 29.0%
16 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 28.7%
17 FGFR2 P21802 Fibroblast growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200; hsa05215; hsa05226; hsa05230 28.3%
18 CHUK O15111 Inhibitor of nuclear factor kappa-B kinase subunit alpha hsa01523; hsa04010; hsa04014; hsa04062; hsa04064; hsa04068; hsa04150; hsa04151; hsa04210; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04920; hsa05120; hsa05131; hsa05142; hsa05145; hsa05160; hsa05161; hsa05162; hsa05163; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05418 3BRT 27.7%
19 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 27.6%
20 NEK1 Q96PY6 Serine/threonine-protein kinase Nek1 NA 4APC; 4B9D 27.3%


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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.