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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: DB02515
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB02515 3-Phosphoglycerol Thumb


2 known interactions (targets) of input drug (DB02515): 3-Phosphoglycerol
No. Gene UniProt ID Protein Name Pathway PDB
1 PFKFB1 P16118 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 hsa00051; hsa04152; hsa04922 1K6M
2 ALDOB P05062 Fructose-bisphosphate aldolase B hsa00010; hsa00030; hsa00051; hsa01100; hsa01200; hsa01230 1QO5; 1XDL; 1XDM


20 predicted interactions (targets) of input drug (DB02515): 3-Phosphoglycerol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ALDOA P04075 Fructose-bisphosphate aldolase A hsa00010; hsa00030; hsa00051; hsa01100; hsa01200; hsa01230; hsa04066 1ALD; 2ALD; 4ALD 24.2%
2 ATIC P31939 Bifunctional purine biosynthesis protein PURH hsa00230; hsa00670; hsa01100; hsa01523 1P4R; 1PKX; 1PL0 18.3%
3 PFKFB4 Q16877 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 hsa00051; hsa04152 NA 17.9%
4 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 17.2%
5 MYH14 Q7Z406 Myosin-14 hsa04530; hsa04810; hsa05132 2YCU 16.8%
6 INS P01308 Insulin hsa04010; hsa04014; hsa04015; hsa04022; hsa04066; hsa04068; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04810; hsa04910; hsa04911; hsa04913; hsa04914; hsa04917; hsa04923; hsa04930; hsa04931; hsa04932; hsa04940; hsa04950; hsa04960; hsa05215
1A7F; 1AI0; 1AIY; 1B9E; 1BEN; 1EFE; 1EV3; 1EV6; 1EVR; 1FU2; 1FUB; 1G7A; 1G7B; 1GUJ; 1HIQ; 1HIS; 1HIT; 1HLS; 1HTV; 1HUI; 1IOG; 1IOH; 1J73; 1JCA; 1JCO; 1JK8; 1K3M; 1KMF; 1LKQ; 1LPH; 1MHI; 1MHJ; 1MSO; 1OS3; 1OS4; 1Q4V; 1QIY; 1QIZ; 1QJ0; 1RWE; 1SF1; 1SJT; 1SJU; 1T0C; 1T1K; 1T1P; 1T1Q; 1TRZ; 1TYL; 1TYM; 1UZ9; 1VKT; 1W8P; 1XDA; 1XGL; 1XW7; 1ZEG; 1ZEH; 1ZNJ; 2AIY; 2C8Q; 2C8R; 2CEU; 2G54; 2G56; 2H67; 2HH4; 2HHO; 2HIU; 2JMN; 2JUM; 2JUU; 2JUV; 2JV1; 2JZQ; 2K91; 2K9R; 2KJJ; 2KJU; 2KQP; 2KQQ; 2KXK; 2L1Y; 2L1Z; 2LGB; 2LWZ; 2M1D; 2M1E; 2M2M; 2M2N; 2M2O; 2M2P; 2MLI; 2MPG; 2MPI; 2MVC; 2MVD; 2OLY; 2OLZ; 2OM0; 2OM1; 2OMG; 2OMH; 2OMI; 2OMQ; 2QIU; 2R34; 2R35; 2R36; 2RN5; 2VJZ; 2VK0; 2W44; 2WBY; 2WC0; 2WRU; 2WRV; 2WRW; 2WRX; 2WS0; 2WS1; 2WS4; 2WS6; 2WS7; 3AIY; 3BXQ; 3E7Y; 3E7Z; 3EXX; 3FQ9; 3HYD; 3I3Z; 3I40; 3ILG; 3INC; 3IR0; 3JSD; 3KQ6; 3P2X; 3P33; 3Q6E; 3ROV; 3TT8; 3U4N; 3UTQ; 3UTS; 3UTT; 3V19; 3V1G; 3W11; 3W12; 3W13; 3W7Y; 3W7Z; 3W80; 3ZI3; 3ZQR; 3ZS2; 3ZU1; 4AIY; 4AJX; 4AJZ; 4AK0; 4AKJ; 4CXL; 4CXN; 4CY7; 4EFX; 4EWW; 4EWX; 4EWZ; 4EX0; 4EX1; 4EXX; 4EY1; 4EY9; 4EYD; 4EYN; 4EYP; 4F0N; 4F0O; 4F1A; 4F1B; 4F1C; 4F1D; 4F1F; 4F1G; 4F4T; 4F4V; 4F51; 4F8F; 4FG3; 4FKA; 4GBC; 4GBI; 4GBK; 4GBL; 4GBN; 4IUZ; 4IYD; 4IYF; 4NIB; 4OGA; 4P65; 4Q5Z; 4RXW; 4UNE; 4UNG; 4UNH; 4WDI; 4XC4; 4Y19; 4Y1A; 4Z76; 4Z77; 4Z78; 5AIY; 5CNY; 5CO2; 5CO6; 5CO9
 16.5%
7 NME1 P15531 Nucleoside diphosphate kinase A hsa00230; hsa00240; hsa00983; hsa01100 1JXV; 1UCN; 2HVD; 2HVE; 3L7U; 4ENO 15.5%
8 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 15.0%
9 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 14.4%
10 LHCGR P22888 Lutropin-choriogonadotropic hormone receptor hsa04020; hsa04080; hsa04913; hsa04917 1LUT; 1XUL 14.1%
11 TACR1 P25103 Substance-P receptor hsa04020; hsa04080; hsa05162 2KS9; 2KSA; 2KSB 13.9%
12 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 13.7%
13 PLAT P00750 Tissue-type plasminogen activator hsa04371; hsa04610; hsa05202; hsa05215; hsa05418 1A5H; 1BDA; 1PK2; 1PML; 1RTF; 1TPG; 1TPK; 1TPM; 1TPN; 5BRR 13.6%
14 BCKDK O14874 [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial NA NA 13.5%
15 CYP19A1 P11511 Aromatase hsa00140; hsa01100; hsa04913 1TQA; 3EQM; 3S79; 3S7S; 4GL5; 4GL7; 4KQ8 13.4%
16 LGALS9 O00182 Galectin-9 NA 2EAK; 2EAL; 2YY1; 2ZHK; 2ZHL; 2ZHM; 2ZHN; 3LSD; 3LSE; 3NV1; 3NV2; 3NV3; 3NV4; 3WLU; 3WV6 13.4%
17 ABCB1 P08183 Multidrug resistance protein 1 hsa02010; hsa04976; hsa05206; hsa05226 NA 12.8%
18 SKP1 P63208 S-phase kinase-associated protein 1 hsa04110; hsa04114; hsa04120; hsa04141; hsa04310; hsa04350; hsa04710; hsa05168; hsa05170; hsa05200 1FQV; 1FS1; 1FS2; 1LDK; 1P22; 2ASS; 2AST; 2E31; 2E32; 2OVP; 2OVQ; 2OVR; 3L2O; 3WSO; 4I6J 12.8%
19 PAPOLA P51003 Poly(A) polymerase alpha hsa03015 NA 12.4%
20 GLIPR1 P48060 Glioma pathogenesis-related protein 1 NA 3Q2R; 3Q2U 12.4%


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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.