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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: DB09568
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB09568 Omega-3-carboxylic acids Thumb


6 known interactions (targets) of input drug (DB09568): Omega-3-carboxylic acids
No. Gene UniProt ID Protein Name Pathway PDB
1 HADH Q16836 Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial hsa00062; hsa00071; hsa00280; hsa00310; hsa00380; hsa00650; hsa01100; hsa01212 1F0Y; 1F12; 1F14; 1F17; 1IL0; 1LSJ; 1LSO; 1M75; 1M76; 2HDH; 3HAD; 3RQS
2 LPL P06858 Lipoprotein lipase hsa00561; hsa03320; hsa04979; hsa05010 NA
3 ECHS1 P30084 Enoyl-CoA hydratase, mitochondrial hsa00062; hsa00071; hsa00280; hsa00310; hsa00380; hsa00410; hsa00640; hsa00650; hsa01100; hsa01200; hsa01212 2HW5
4 ELOVL4 Q9GZR5 Elongation of very long chain fatty acids protein 4 hsa00062; hsa01100 NA
5 HSD17B10 Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 hsa00280; hsa01100; hsa05010 1F67; 1SO8; 1U7T; 2O23
6 DGAT2 Q96PD7 Diacylglycerol O-acyltransferase 2 hsa00561; hsa01100; hsa04975 NA


20 predicted interactions (targets) of input drug (DB09568): Omega-3-carboxylic acids
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 IMPDH2 P12268 Inosine-5'-monophosphate dehydrogenase 2 hsa00230; hsa00983; hsa01100 1B3O; 1NF7; 1NFB 34.5%
2 ACADS P16219 Short-chain specific acyl-CoA dehydrogenase, mitochondrial hsa00071; hsa00280; hsa00650; hsa01100; hsa01200; hsa01212 2VIG 30.0%
3 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 28.7%
4 BACE1 P56817 Beta-secretase 1 hsa05010
1FKN; 1M4H; 1PY1; 1SGZ; 1TQF; 1UJJ; 1UJK; 1W50; 1W51; 1XN2; 1XN3; 1XS7; 1YM2; 1YM4; 2B8L; 2B8V; 2F3E; 2F3F; 2FDP; 2G94; 2HIZ; 2HM1; 2IQG; 2IRZ; 2IS0; 2NTR; 2OAH; 2OF0; 2OHK; 2OHL; 2OHM; 2OHN; 2OHP; 2OHQ; 2OHR; 2OHS; 2OHT; 2OHU; 2P4J; 2P83; 2P8H; 2PH6; 2PH8; 2Q11; 2Q15; 2QK5; 2QMD; 2QMF; 2QMG; 2QP8; 2QU2; 2QU3; 2QZK; 2QZL; 2VA5; 2VA6; 2VA7; 2VIE; 2VIJ; 2VIY; 2VIZ; 2VJ6; 2VJ7; 2VJ9; 2VKM; 2VNM; 2VNN; 2WEZ; 2WF0; 2WF1; 2WF2; 2WF3; 2WF4; 2WJO; 2XFI; 2XFJ; 2XFK; 2ZDZ; 2ZE1; 2ZHR; 2ZHS; 2ZHT; 2ZHU; 2ZHV; 2ZJH; 2ZJI; 2ZJJ; 2ZJK; 2ZJL; 2ZJM; 2ZJN; 3BRA; 3BUF; 3BUG; 3BUH; 3CIB; 3CIC; 3CID; 3CKP; 3CKR; 3DM6; 3DUY; 3DV1; 3DV5; 3EXO; 3FKT; 3H0B; 3HVG; 3HW1; 3I25; 3IGB; 3IN3; 3IN4; 3IND; 3INE; 3INF; 3INH; 3IVH; 3IVI; 3IXJ; 3IXK; 3K5C; 3K5D; 3K5F; 3K5G; 3KMX; 3KMY; 3KN0; 3KYR; 3L38; 3L3A; 3L58; 3L59; 3L5B; 3L5C; 3L5D; 3L5E; 3L5F; 3LHG; 3LNK; 3LPI; 3LPJ; 3LPK; 3MSJ; 3MSK; 3MSL; 3N4L; 3NSH; 3OHF; 3OHH; 3OOZ; 3PI5; 3QBH; 3QI1; 3R1G; 3R2F; 3RSV; 3RSX; 3RTH; 3RTM; 3RTN; 3RU1; 3RVI; 3S2O; 3S7L; 3S7M; 3SKF; 3SKG; 3TPJ; 3TPL; 3TPP; 3TPR; 3U6A; 3UDH; 3UDJ; 3UDK; 3UDM; 3UDN; 3UDP; 3UDQ; 3UDR; 3UDY; 3UFL; 3UQP; 3UQR; 3UQU; 3UQW; 3UQX; 3VEU; 3VF3; 3VG1; 3VV6; 3VV7; 3VV8; 3WB4; 3WB5; 3ZMG; 3ZOV; 4ACU; 4ACX; 4AZY; 4B00; 4B05; 4B0Q; 4B1C; 4B1D; 4B1E; 4B70; 4B72; 4B77; 4B78; 4BEK; 4BFD; 4D83; 4D85; 4D88; 4D89; 4D8C; 4DH6; 4DI2; 4DJU; 4DJV; 4DJW; 4DJX; 4DJY; 4DPF; 4DPI; 4DUS; 4DV9; 4DVF; 4EWO; 4EXG; 4FCO; 4FGX; 4FM7; 4FM8; 4FRI; 4FRJ; 4FRK; 4FRS; 4FS4; 4FSE; 4FSL; 4GID; 4GMI; 4H1E; 4H3F; 4H3G; 4H3I; 4H3J; 4HA5; 4HZT; 4I0D; 4I0E; 4I0F; 4I0G; 4I0H; 4I0I; 4I0J; 4I0Z; 4I10; 4I11; 4I12; 4I1C; 4IVS; 4IVT; 4J0P; 4J0T; 4J0V; 4J0Y; 4J0Z; 4J17; 4J1C; 4J1E; 4J1F; 4J1H; 4J1I; 4J1K; 4JOO; 4JP9; 4JPC; 4JPE; 4K8S; 4K9H; 4KE0; 4KE1; 4L7G; 4L7H; 4L7J; 4LC7; 4LXA; 4LXK; 4LXM; 4N00; 4PZW; 4PZX; 4R5N; 4R8Y; 4R91; 4R92; 4R93; 4R95; 4RCD; 4RCE; 4RCF; 4RRN; 4RRO; 4RRS; 4TRW; 4TRY; 4TRZ; 4WTU; 4WY1; 4WY6; 4X2L; 4X7I; 4XKX; 4XXS; 4YBI; 4ZPE; 4ZPF; 4ZPG; 4ZSM; 4ZSP; 4ZSQ; 4ZSR; 5CLM
 27.7%
5 DHODH Q02127 Dihydroorotate dehydrogenase (quinone), mitochondrial hsa00240; hsa01100 25.0%
6 EPHX2 P34913 Bifunctional epoxide hydrolase 2 hsa00590; hsa01100; hsa04146 24.6%
7 LCN9 Q8WX39 Epididymal-specific lipocalin-9 NA NA 24.6%
8 AVPR2 P30518 Vasopressin V2 receptor hsa04072; hsa04080; hsa04962 4JQI 24.0%
9 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D 23.1%
10 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 23.1%
11 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 22.7%
12 GAPDHS O14556 Glyceraldehyde-3-phosphate dehydrogenase, testis-specific hsa00010; hsa01100 3H9E; 3PFW 22.5%
13 IMPDH1 P20839 Inosine-5'-monophosphate dehydrogenase 1 hsa00230; hsa00983; hsa01100 1JCN 22.3%
14 ADK P55263 Adenosine kinase hsa00230; hsa01100 1BX4; 2I6A; 2I6B; 4O1L 21.7%
15 NR1H4 Q96RI1 Bile acid receptor hsa04976 21.3%
16 GSR P00390 Glutathione reductase, mitochondrial hsa00480; hsa04918 20.9%
17 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 20.4%
18 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX 20.0%
19 ADSSL1 Q8N142 Adenylosuccinate synthetase isozyme 1 hsa00230; hsa00250; hsa01100 2GJO 19.7%
20 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 19.7%


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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.