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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: DB03017
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Experimental		 SmallMoleculeDrug DB03017 Lauric Acid Thumb


12 known interactions (targets) of input drug (DB03017): Lauric Acid
No. Gene UniProt ID Protein Name Pathway PDB
1 LTF P02788 Lactotransferrin NA
2 ADH5 P11766 Alcohol dehydrogenase class-3 hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa01200; hsa05204 1M6H; 1M6W; 1MA0; 1MC5; 1MP0; 1TEH; 2FZE; 2FZW; 3QJ5
3 PLA2G2D Q9UNK4 Group IID secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA
4 TLR4 O00206 Toll-like receptor 4 hsa04064; hsa04066; hsa04145; hsa04151; hsa04217; hsa04620; hsa04621; hsa05130; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05144; hsa05145; hsa05146; hsa05152; hsa05161; hsa05162; hsa05164; hsa05170; hsa05205; hsa05321; hsa05323 2Z62; 2Z63; 2Z65; 2Z66; 3FXI; 3UL7; 3UL8; 3UL9; 3ULA; 4G8A
5 GM2A P17900 Ganglioside GM2 activator hsa04142 1G13; 1PU5; 1PUB; 1TJJ; 2AF9; 2AG2; 2AG4; 2AG9
6 C8G P07360 Complement component C8 gamma chain hsa04610; hsa05020; hsa05146; hsa05322 1IW2; 1LF7; 2OVA; 2OVD; 2OVE; 2QOS; 2RD7; 3OJY
7 VLDLR P98155 Very low-density lipoprotein receptor NA 1V9U; 3DPR
8 GLTP Q9NZD2 Glycolipid transfer protein NA
9 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
10 LY96 Q9Y6Y9 Lymphocyte antigen 96 hsa04064; hsa04620; hsa05130; hsa05133; hsa05145 1T2Z; 2E56; 2E59; 2Z65; 3FXI; 3ULA; 4G8A
11 HNF4A P41235 Hepatocyte nuclear factor 4-alpha hsa04152; hsa04950 1PZL; 3CBB; 3FS1; 4B7W; 4IQR
12 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


20 predicted interactions (targets) of input drug (DB03017): Lauric Acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 MAPK14 Q16539 Mitogen-activated protein kinase 14 hsa01522; hsa04010; hsa04015; hsa04068; hsa04071; hsa04218; hsa04261; hsa04370; hsa04380; hsa04550; hsa04611; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04664; hsa04668; hsa04670; hsa04714; hsa04722; hsa04723; hsa04728; hsa04750; hsa04912; hsa04914; hsa04917; hsa04926; hsa04933; hsa05014; hsa05120; hsa05131; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05152; hsa05160; hsa05163; hsa05164; hsa05167; hsa05169; hsa05170; hsa05205; hsa05418
1A9U; 1BL6; 1BL7; 1BMK; 1DI9; 1IAN; 1KV1; 1KV2; 1M7Q; 1OUK; 1OUY; 1OVE; 1OZ1; 1R39; 1R3C; 1W7H; 1W82; 1W83; 1W84; 1WBN; 1WBO; 1WBS; 1WBT; 1WBV; 1WBW; 1WFC; 1YQJ; 1ZYJ; 1ZZ2; 1ZZL; 2BAJ; 2BAK; 2BAL; 2BAQ; 2FSL; 2FSM; 2FSO; 2FST; 2GFS; 2I0H; 2LGC; 2NPQ; 2OKR; 2ONL; 2QD9; 2RG5; 2RG6; 2Y8O; 2YIS; 2YIW; 2YIX; 2ZAZ; 2ZB0; 2ZB1; 3BV2; 3BV3; 3BX5; 3C5U; 3CTQ; 3D7Z; 3D83; 3DS6; 3DT1; 3E92; 3E93; 3FC1; 3FI4; 3FKL; 3FKN; 3FKO; 3FL4; 3FLN; 3FLQ; 3FLS; 3FLW; 3FLY; 3FLZ; 3FMH; 3FMJ; 3FMK; 3FML; 3FMM; 3FMN; 3FSF; 3FSK; 3GC7; 3GCP; 3GCQ; 3GCS; 3GCU; 3GCV; 3GFE; 3GI3; 3HA8; 3HEC; 3HEG; 3HL7; 3HLL; 3HP2; 3HP5; 3HRB; 3HUB; 3HUC; 3HV3; 3HV4; 3HV5; 3HV6; 3HV7; 3HVC; 3IPH; 3ITZ; 3IW5; 3IW6; 3IW7; 3IW8; 3K3I; 3K3J; 3KF7; 3KQ7; 3L8S; 3L8X; 3LFA; 3LFB; 3LFC; 3LFD; 3LFE; 3LFF; 3LHJ; 3MGY; 3MH0; 3MH1; 3MH2; 3MH3; 3MPA; 3MPT; 3MVL; 3MVM; 3MW1; 3NEW; 3NNU; 3NNV; 3NNW; 3NNX; 3NWW; 3O8P; 3O8T; 3O8U; 3OBG; 3OBJ; 3OC1; 3OCG; 3OD6; 3ODY; 3ODZ; 3OEF; 3PG3; 3QUD; 3QUE; 3RIN; 3ROC; 3S3I; 3S4Q; 3U8W; 3UVP; 3UVQ; 3UVR; 3ZS5; 3ZSG; 3ZSH; 3ZSI; 3ZYA; 4A9Y; 4AA0; 4AA4; 4AA5; 4AAC; 4DLI; 4DLJ; 4E5A; 4E5B; 4E6A; 4E6C; 4E8A; 4EH2; 4EH3; 4EH4; 4EH5; 4EH6; 4EH7; 4EH8; 4EH9; 4EHV; 4EWQ; 4F9W; 4F9Y; 4FA2; 4GEO; 4KIN; 4KIP; 4KIQ; 4L8M; 4R3C
 42.7%
2 CDK2 P24941 Cyclin-dependent kinase 2 hsa04068; hsa04110; hsa04114; hsa04115; hsa04151; hsa04218; hsa04914; hsa04934; hsa05161; hsa05162; hsa05165; hsa05168; hsa05169; hsa05200; hsa05203; hsa05215; hsa05222; hsa05226
1AQ1; 1B38; 1B39; 1BUH; 1CKP; 1DI8; 1DM2; 1E1V; 1E1X; 1E9H; 1F5Q; 1FIN; 1FQ1; 1FVT; 1FVV; 1G5S; 1GIH; 1GII; 1GIJ; 1GY3; 1GZ8; 1H00; 1H01; 1H07; 1H08; 1H0V; 1H0W; 1H1P; 1H1Q; 1H1R; 1H1S; 1H24; 1H25; 1H26; 1H27; 1H28; 1HCK; 1HCL; 1JST; 1JSU; 1JSV; 1JVP; 1KE5; 1KE6; 1KE7; 1KE8; 1KE9; 1OGU; 1OI9; 1OIQ; 1OIR; 1OIT; 1OIU; 1OIY; 1OKV; 1OKW; 1OL1; 1OL2; 1P2A; 1P5E; 1PF8; 1PKD; 1PW2; 1PXI; 1PXJ; 1PXK; 1PXL; 1PXM; 1PXN; 1PXO; 1PXP; 1PYE; 1QMZ; 1R78; 1URC; 1URW; 1V1K; 1VYW; 1VYZ; 1W0X; 1W8C; 1W98; 1WCC; 1Y8Y; 1Y91; 1YKR; 2A0C; 2A4L; 2B52; 2B53; 2B54; 2B55; 2BHE; 2BHH; 2BKZ; 2BPM; 2BTR; 2BTS; 2C4G; 2C5N; 2C5O; 2C5V; 2C5X; 2C5Y; 2C68; 2C69; 2C6I; 2C6K; 2C6L; 2C6M; 2C6O; 2C6T; 2CCH; 2CCI; 2CJM; 2CLX; 2DS1; 2DUV; 2EXM; 2FVD; 2G9X; 2HIC; 2I40; 2IW6; 2IW8; 2IW9; 2J9M; 2JGZ; 2R3F; 2R3G; 2R3H; 2R3I; 2R3J; 2R3K; 2R3L; 2R3M; 2R3N; 2R3O; 2R3P; 2R3Q; 2R3R; 2R64; 2UUE; 2UZB; 2UZD; 2UZE; 2UZL; 2UZN; 2UZO; 2V0D; 2V22; 2VTA; 2VTH; 2VTI; 2VTJ; 2VTL; 2VTM; 2VTN; 2VTO; 2VTP; 2VTQ; 2VTR; 2VTS; 2VTT; 2VU3; 2VV9; 2W05; 2W06; 2W17; 2W1H; 2WEV; 2WFY; 2WHB; 2WIH; 2WIP; 2WMA; 2WMB; 2WPA; 2WXV; 2X1N; 2XMY; 2XNB; 3BHT; 3BHU; 3BHV; 3DDP; 3DDQ; 3DOG; 3EID; 3EJ1; 3EOC; 3EZR; 3EZV; 3F5X; 3FZ1; 3IG7; 3IGG; 3LE6; 3LFN; 3LFQ; 3LFS; 3MY5; 3NS9; 3PJ8; 3PXF; 3PXQ; 3PXR; 3PXY; 3PXZ; 3PY0; 3PY1; 3QHR; 3QHW; 3QL8; 3QQF; 3QQG; 3QQH; 3QQJ; 3QQK; 3QQL; 3QRT; 3QRU; 3QTQ; 3QTR; 3QTS; 3QTU; 3QTW; 3QTX; 3QTZ; 3QU0; 3QWJ; 3QWK; 3QX2; 3QX4; 3QXO; 3QXP; 3QZF; 3QZG; 3QZH; 3QZI; 3R1Q; 3R1S; 3R1Y; 3R28; 3R6X; 3R71; 3R73; 3R7E; 3R7I; 3R7U; 3R7V; 3R7Y; 3R83; 3R8L; 3R8M; 3R8P; 3R8U; 3R8V; 3R8Z; 3R9D; 3R9H; 3R9N; 3R9O; 3RAH; 3RAI; 3RAK; 3RAL; 3RJC; 3RK5; 3RK7; 3RK9; 3RKB; 3RM6; 3RM7; 3RMF; 3RNI; 3ROY; 3RPO; 3RPR; 3RPV; 3RPY; 3RZB; 3S00; 3S0O; 3S1H; 3S2P; 3SQQ; 3SW4; 3SW7; 3TI1; 3TIY; 3TIZ; 3TNW; 3ULI; 3UNJ; 3UNK; 3WBL; 4ACM; 4BCK; 4BCM; 4BCN; 4BCO; 4BCP; 4BCQ; 4BGH; 4BZD; 4CFM; 4CFN; 4CFU; 4CFV; 4CFW; 4CFX; 4D1X; 4D1Z; 4EK3; 4EK4; 4EK5; 4EK6; 4EK8; 4EOI; 4EOJ; 4EOK; 4EOL; 4EOM; 4EON; 4EOO; 4EOP; 4EOQ; 4EOR; 4EOS; 4ERW; 4EZ3; 4EZ7; 4FKG; 4FKI; 4FKJ; 4FKL; 4FKO; 4FKP; 4FKQ; 4FKR; 4FKS; 4FKT; 4FKU; 4FKV; 4FKW; 4FX3; 4GCJ; 4I3Z; 4II5; 4KD1; 4LYN; 4NJ3; 4RJ3; 5A14; 5CYI; 5D1J
 36.9%
3 MAOA P21397 Amine oxidase [flavin-containing] A hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 1H8Q; 2BXR; 2BXS; 2Z5X; 2Z5Y 29.6%
4 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 29.2%
5 CALM1 P0DP23 Calmodulin NA 28.2%
6 AURKA O14965 Aurora kinase A hsa04114; hsa04914 27.9%
7 CTSK P43235 Cathepsin K hsa04142; hsa04210; hsa04380; hsa04620; hsa05323 27.2%
8 HMGCR P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase hsa00900; hsa01100; hsa04152; hsa04976 26.4%
9 CYP19A1 P11511 Aromatase hsa00140; hsa01100; hsa04913 1TQA; 3EQM; 3S79; 3S7S; 4GL5; 4GL7; 4KQ8 26.2%
10 TRAPPC3 O43617 Trafficking protein particle complex subunit 3 NA 1SZ7; 2C0J; 2CFH; 3KXC 26.0%
11 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
 24.8%
12 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 24.6%
13 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH 24.4%
14 SULT1E1 P49888 Estrogen sulfotransferase hsa00140 1G3M; 1HY3; 4JVL; 4JVM; 4JVN 24.3%
15 SCN1A P35498 Sodium channel protein type 1 subunit alpha hsa04728 NA 23.9%
16 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 23.7%
17 PVR P15151 Poliovirus receptor hsa04514 1DGI; 1NN8; 3EPC; 3EPD; 3EPF; 3J8F; 3J9F; 3UDW; 3URO; 4FQP 23.7%
18 ECI2 O75521 Enoyl-CoA delta isomerase 2, mitochondrial hsa00071; hsa04146 2CQU; 2F6Q; 4U18; 4U19; 4U1A 23.1%
19 PLG P00747 Plasminogen hsa04080; hsa04610; hsa05150; hsa05164 22.9%
20 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 22.8%


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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.