QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: DB02709
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb


25 known interactions (targets) of input drug (DB02709): Resveratrol
No. Gene UniProt ID Protein Name Pathway PDB
1 MTNR1B P49286 Melatonin receptor type 1B hsa04080; hsa04713 NA
2 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99
3 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP
4 CLEC14A Q86T13 C-type lectin domain family 14 member A NA NA
5 ALOX15 P16050 Arachidonate 15-lipoxygenase hsa00590; hsa00591; hsa01100; hsa04216; hsa04217; hsa04726 2ABT
6 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA
7 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA
8 ITGB3 P05106 Integrin beta-3 hsa04015; hsa04145; hsa04151; hsa04380; hsa04510; hsa04512; hsa04611; hsa04640; hsa04810; hsa04919; hsa05163; hsa05165; hsa05205; hsa05206; hsa05410; hsa05412; hsa05414; hsa05418
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 CBR1 P16152 Carbonyl reductase [NADPH] 1 hsa00590; hsa00790; hsa00980; hsa01100; hsa05204 1WMA; 2PFG; 3BHI; 3BHJ; 3BHM; 4Z3D
11 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
12 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
13 SLC2A1 P11166 Solute carrier family 2, facilitated glucose transporter member 1 hsa04066; hsa04911; hsa04919; hsa04920; hsa04922; hsa04931; hsa04976; hsa05166; hsa05200; hsa05211; hsa05230 1SUK; 4PYP
14 APP P05067 Amyloid beta A4 protein hsa04726; hsa05010
15 AKT1 P31749 RAC-alpha serine/threonine-protein kinase hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04211; hsa04213; hsa04218; hsa04261; hsa04370; hsa04371; hsa04380; hsa04510; hsa04550; hsa04611; hsa04620; hsa04625; hsa04630; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04722; hsa04725; hsa04728; hsa04910; hsa04914; hsa04915; hsa04917; hsa04919; hsa04920; hsa04922; hsa04923; hsa04926; hsa04931; hsa04932; hsa04933; hsa04973; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05170; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05220; hsa05221; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231; hsa05418
16 SNCA P37840 Alpha-synuclein hsa05010; hsa05012 1XQ8; 2JN5; 2KKW; 2M55; 2X6M; 3Q25; 3Q26; 3Q27; 3Q28; 3Q29; 4BXL; 4R0U; 4R0W; 4RIK; 4RIL; 4ZNN; 5CRW
17 KHSRP Q92945 Far upstream element-binding protein 2 NA 2HH2; 2HH3; 2JVZ; 2OPU; 2OPV; 4B8T
18 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA
19 PI4K2B Q8TCG2 Phosphatidylinositol 4-kinase type 2-beta hsa00562; hsa01100; hsa04070 4WTV
20 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA
21 YARS P54577 Tyrosine--tRNA ligase, cytoplasmic hsa00970 1N3L; 1NTG; 1Q11; 4Q93; 4QBT
22 ITGA5 P08648 Integrin alpha-5 hsa04145; hsa04151; hsa04510; hsa04512; hsa04640; hsa04810; hsa05100; hsa05131; hsa05133; hsa05165; hsa05205; hsa05206; hsa05410; hsa05412; hsa05414 3VI3; 3VI4; 4WJK; 4WK0; 4WK2; 4WK4
23 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169
24 MTNR1A P48039 Melatonin receptor type 1A hsa04080; hsa04713 NA
25 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


20 predicted interactions (targets) of input drug (DB02709): Resveratrol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 46.6%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 45.9%
3 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 44.2%
4 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 42.4%
5 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 39.3%
6 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 37.1%
7 DHODH Q02127 Dihydroorotate dehydrogenase (quinone), mitochondrial hsa00240; hsa01100 34.7%
8 mmp20 O43923 Matrix metalloproteinase-25 NA NA 34.7%
9 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221 34.7%
10 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 34.4%
11 F11 P03951 Coagulation factor XI hsa04610 34.3%
12 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 33.4%
13 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 33.4%
14 CHRNA3 P32297 Neuronal acetylcholine receptor subunit alpha-3 hsa04080; hsa04725 4ZK4 33.2%
15 TRPV1 Q8NER1 Transient receptor potential cation channel subfamily V member 1 hsa04080; hsa04750 NA 33.0%
16 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 31.8%
17 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 29.8%
18 CYP21A2 P08686 Steroid 21-hydroxylase hsa00140; hsa01100; hsa04925; hsa04927; hsa04934 2GEG; 4Y8W 29.7%
19 SF3B3 Q15393 Splicing factor 3B subunit 3 hsa03040 5IFE 29.3%
20 PTGDR2 Q9Y5Y4 Prostaglandin D2 receptor 2 NA NA 29.0%


  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.