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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: DB00163
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00163 Vitamin E Thumb


10 known interactions (targets) of input drug (DB00163): Vitamin E
No. Gene UniProt ID Protein Name Pathway PDB
1 PPP2CA P67775 Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform hsa03015; hsa04071; hsa04114; hsa04136; hsa04140; hsa04151; hsa04152; hsa04261; hsa04350; hsa04390; hsa04530; hsa04728; hsa04730; hsa05142; hsa05160; hsa05165 2IAE; 2IE3; 2IE4; 2NPP; 2NYL; 2NYM; 3C5W; 3DW8; 3FGA; 3K7V; 3K7W; 3P71; 4I5L; 4I5N; 4IYP; 4LAC
2 DGKA P23743 Diacylglycerol kinase alpha hsa00561; hsa00564; hsa01100; hsa04070; hsa04072; hsa05231 1TUZ
3 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA
4 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99
5 PRKCA P17252 Protein kinase C alpha type hsa01521; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04070; hsa04071; hsa04072; hsa04150; hsa04151; hsa04261; hsa04270; hsa04310; hsa04360; hsa04370; hsa04510; hsa04540; hsa04650; hsa04664; hsa04666; hsa04670; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04750; hsa04911; hsa04912; hsa04916; hsa04918; hsa04919; hsa04921; hsa04925; hsa04926; hsa04928; hsa04933; hsa04960; hsa04961; hsa04970; hsa04971; hsa04972; hsa05031; hsa05032; hsa05110; hsa05130; hsa05143; hsa05146; hsa05161; hsa05163; hsa05164; hsa05170; hsa05200; hsa05205; hsa05206; hsa05214; hsa05223; hsa05225; hsa05231 2ELI; 3IW4; 4DNL; 4RA4
6 PRKCB P05771 Protein kinase C beta type hsa01521; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04062; hsa04064; hsa04066; hsa04070; hsa04071; hsa04150; hsa04270; hsa04310; hsa04370; hsa04510; hsa04540; hsa04650; hsa04662; hsa04666; hsa04670; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04750; hsa04911; hsa04912; hsa04916; hsa04918; hsa04919; hsa04921; hsa04925; hsa04928; hsa04931; hsa04933; hsa04960; hsa04961; hsa04970; hsa04971; hsa04972; hsa04973; hsa05031; hsa05032; hsa05140; hsa05143; hsa05146; hsa05161; hsa05163; hsa05164; hsa05170; hsa05200; hsa05205; hsa05206; hsa05214; hsa05223; hsa05225; hsa05231 2I0E
7 SEC14L3 Q9UDX4 SEC14-like protein 3 NA 4UYB
8 SEC14L2 O76054 SEC14-like protein 2 NA 1O6U; 1OLM; 4OMJ; 4OMK
9 SEC14L4 Q9UDX3 SEC14-like protein 4 NA 4TLG
10 PPP2CB P62714 Serine/threonine-protein phosphatase 2A catalytic subunit beta isoform hsa03015; hsa04071; hsa04114; hsa04136; hsa04140; hsa04151; hsa04152; hsa04261; hsa04350; hsa04390; hsa04530; hsa04728; hsa04730; hsa05142; hsa05160; hsa05165 NA


20 predicted interactions (targets) of input drug (DB00163): Vitamin E
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 32.2%
2 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 24.6%
3 PLA2G2A P14555 Phospholipase A2, membrane associated hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1AYP; 1BBC; 1DB4; 1DB5; 1DCY; 1J1A; 1KQU; 1KVO; 1N28; 1N29; 1POD; 1POE; 2GNY; 3U8B; 3U8D; 3U8H; 3U8I 22.4%
4 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 21.5%
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 21.3%
6 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI 20.9%
7 SGK1 O00141 Serine/threonine-protein kinase Sgk1 hsa04068; hsa04150; hsa04151; hsa04960 2R5T; 3HDM; 3HDN 20.8%
8 GGPS1 O95749 Geranylgeranyl pyrophosphate synthase hsa00900; hsa01100 2Q80 20.5%
9 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 19.5%
10 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA 18.8%
11 SIGMAR1 Q99720 Sigma non-opioid intracellular receptor 1 NA NA 18.5%
12 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA 18.2%
13 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA 18.2%
14 SLC18A2 Q05940 Synaptic vesicular amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 18.1%
15 PNP P00491 Purine nucleoside phosphorylase hsa00230; hsa00240; hsa00760; hsa01100 18.0%
16 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 17.9%
17 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 17.8%
18 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA 17.7%
19 EBP Q15125 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase hsa00100; hsa01100 NA 17.3%
20 GATM P50440 Glycine amidinotransferase, mitochondrial hsa00260; hsa00330; hsa01100 1JDW; 1JDX; 2JDW; 2JDX; 3JDW; 4JDW; 5JDW; 6JDW; 7JDW; 8JDW; 9JDW 17.2%


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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.