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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: DB04522
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04522 Dexfosfoserine Thumb


13 known interactions (targets) of input drug (DB04522): Dexfosfoserine
No. Gene UniProt ID Protein Name Pathway PDB
1 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
2 SMAD2 Q15796 Mothers against decapentaplegic homolog 2 hsa04068; hsa04110; hsa04144; hsa04218; hsa04350; hsa04371; hsa04390; hsa04520; hsa04550; hsa04659; hsa04926; hsa04933; hsa05142; hsa05166; hsa05200; hsa05205; hsa05210; hsa05212; hsa05225; hsa05226; hsa05321 1DEV; 1KHX; 1U7V; 2LB3
3 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D
4 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
5 RHO P08100 Rhodopsin hsa04744 4ZWJ
6 PRKACA P17612 cAMP-dependent protein kinase catalytic subunit alpha hsa01522; hsa04010; hsa04014; hsa04020; hsa04024; hsa04062; hsa04114; hsa04140; hsa04211; hsa04213; hsa04261; hsa04270; hsa04310; hsa04340; hsa04371; hsa04530; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04740; hsa04742; hsa04750; hsa04910; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04919; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04976; hsa05012; hsa05020; hsa05030; hsa05031; hsa05032; hsa05034; hsa05110; hsa05146; hsa05163; hsa05165; hsa05166; hsa05169; hsa05200; hsa05203; hsa05205; hsa05414
7 PRKCQ Q04759 Protein kinase C theta type hsa04064; hsa04140; hsa04270; hsa04658; hsa04659; hsa04660; hsa04750; hsa04920; hsa04931; hsa05162 1XJD; 2ENJ; 2ENN; 2ENZ; 2JED; 4Q9Z; 4RA5
8 CFTR P13569 Cystic fibrosis transmembrane conductance regulator hsa02010; hsa04024; hsa04152; hsa04530; hsa04971; hsa04972; hsa04976; hsa05110 1NBD; 1XMI; 1XMJ; 2BBO; 2BBS; 2BBT; 2LOB; 2PZE; 2PZF; 2PZG; 3GD7; 3ISW
9 SERPINB3 P29508 Serpin B3 hsa05146 2ZV6; 4ZK0; 4ZK3
10 TAOK2 Q9UL54 Serine/threonine-protein kinase TAO2 hsa04010 NA
11 PIM1 P11309 Serine/threonine-protein kinase pim-1 hsa04630; hsa04933; hsa05200; hsa05206; hsa05221
12 KCNC4 Q03721 Potassium voltage-gated channel subfamily C member 4 NA 1B4G; 1B4I; 1ZTN
13 REG1A P05451 Lithostathine-1-alpha NA 1LIT; 1QDD


20 predicted interactions (targets) of input drug (DB04522): Dexfosfoserine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PKIA P61925 cAMP-dependent protein kinase inhibitor alpha hsa05034 47.0%
2 CDK6 Q00534 Cyclin-dependent kinase 6 hsa04110; hsa04115; hsa04151; hsa04218; hsa04934; hsa05161; hsa05162; hsa05163; hsa05165; hsa05167; hsa05200; hsa05203; hsa05206; hsa05212; hsa05214; hsa05218; hsa05220; hsa05222; hsa05223; hsa05224; hsa05225 1BI7; 1BI8; 1BLX; 1G3N; 1JOW; 1XO2; 2EUF; 2F2C; 3NUP; 3NUX; 4AUA; 4EZ5; 4TTH 38.0%
3 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 37.3%
4 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 34.3%
5 CDK4 P11802 Cyclin-dependent kinase 4 hsa01522; hsa04110; hsa04115; hsa04151; hsa04218; hsa04530; hsa04660; hsa04933; hsa04934; hsa05161; hsa05162; hsa05163; hsa05165; hsa05166; hsa05167; hsa05200; hsa05203; hsa05212; hsa05214; hsa05218; hsa05219; hsa05220; hsa05222; hsa05223; hsa05224; hsa05225 1LD2; 2W96; 2W99; 2W9F; 2W9Z; 3G33 31.8%
6 DHODH Q02127 Dihydroorotate dehydrogenase (quinone), mitochondrial hsa00240; hsa01100 26.8%
7 ZAP70 P43403 Tyrosine-protein kinase ZAP-70 hsa04014; hsa04064; hsa04650; hsa04658; hsa04659; hsa04660; hsa05340 1FBV; 1M61; 1U59; 2CBL; 2OQ1; 2OZO; 2Y1N; 3ZNI; 4A4B; 4A4C; 4K2R; 4XZ0; 4XZ1 26.8%
8 AURKA O14965 Aurora kinase A hsa04114; hsa04914 26.4%
9 DYRK1A Q13627 Dual specificity tyrosine-phosphorylation-regulated kinase 1A NA 2VX3; 2WO6; 3ANQ; 3ANR; 4AZE; 4MQ1; 4MQ2; 4NCT; 4YLJ; 4YLK; 4YLL; 4YU2; 5AIK 25.9%
10 MAP2K2 P36507 Dual specificity mitogen-activated protein kinase kinase 2 hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04066; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04370; hsa04371; hsa04540; hsa04550; hsa04620; hsa04650; hsa04660; hsa04662; hsa04664; hsa04720; hsa04722; hsa04730; hsa04810; hsa04910; hsa04912; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04934; hsa05020; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 1S9I; 4H3Q 25.6%
11 MET P08581 Hepatocyte growth factor receptor hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04360; hsa04510; hsa04520; hsa05100; hsa05120; hsa05144; hsa05200; hsa05202; hsa05205; hsa05206; hsa05211; hsa05218; hsa05225; hsa05226; hsa05230 25.5%
12 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC 25.1%
13 ITK Q08881 Tyrosine-protein kinase ITK/TSK hsa04062; hsa04660; hsa04670 24.8%
14 PRKACB P22694 cAMP-dependent protein kinase catalytic subunit beta hsa01522; hsa04010; hsa04014; hsa04020; hsa04024; hsa04062; hsa04114; hsa04140; hsa04211; hsa04213; hsa04261; hsa04270; hsa04310; hsa04340; hsa04371; hsa04530; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04740; hsa04742; hsa04750; hsa04910; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04919; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04976; hsa05012; hsa05020; hsa05030; hsa05031; hsa05032; hsa05110; hsa05146; hsa05163; hsa05165; hsa05166; hsa05169; hsa05200; hsa05203; hsa05205; hsa05414 NA 24.7%
15 FGF1 P05230 Fibroblast growth factor 1 hsa04010; hsa04014; hsa04015; hsa04151; hsa04390; hsa04810; hsa05200; hsa05218; hsa05224; hsa05226 24.4%
16 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 24.3%
17 PIK3CG P48736 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform hsa00562; hsa04022; hsa04062; hsa04072; hsa04151; hsa04261; hsa04371; hsa04611; hsa04725; hsa04921; hsa05145; hsa05167 24.3%
18 CSK P41240 Tyrosine-protein kinase CSK hsa05120 1BYG; 1CSK; 3D7T; 3D7U; 3EAC; 3EAZ 24.0%
19 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 23.8%
20 DCLK3 Q9C098 Serine/threonine-protein kinase DCLK3 NA NA 23.4%


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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.