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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: DB00536
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB00536 Guanidine Thumb


4 known interactions (targets) of input drug (DB00536): Guanidine
No. Gene UniProt ID Protein Name Pathway PDB
1 ALDH2 P05091 Aldehyde dehydrogenase, mitochondrial hsa00010; hsa00053; hsa00071; hsa00280; hsa00310; hsa00330; hsa00340; hsa00380; hsa00410; hsa00561; hsa00620; hsa01100
2 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH
3 DLG4 P78352 Disks large homolog 4 hsa04390; hsa04724; hsa05016; hsa05030 1KEF; 2MES; 3I4W; 3K82; 3ZRT
4 GAMT Q14353 Guanidinoacetate N-methyltransferase hsa00260; hsa00330; hsa01100 3ORH


20 predicted interactions (targets) of input drug (DB00536): Guanidine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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
20.8%
2 RNASE3 P12724 Eosinophil cationic protein hsa05310 1DYT; 1H1H; 1QMT; 2KB5; 2LVZ; 4A2O; 4A2Y; 4OWZ; 4OXB; 4OXF; 4X08 20.3%
3 GNMT Q14749 Glycine N-methyltransferase hsa00260 1R74; 2AZT 19.8%
4 HNMT P50135 Histamine N-methyltransferase hsa00340 1ICZ; 1JQD; 1JQE; 2AOT; 2AOU; 2AOV; 2AOW; 2AOX 19.8%
5 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 19.7%
6 MMP3 P08254 Stromelysin-1 hsa04657; hsa04668; hsa05202; hsa05215; hsa05323 19.7%
7 CKB P12277 Creatine kinase B-type hsa00330; hsa01100 3B6R; 3DRB; 3DRE 19.5%
8 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217 19.4%
9 SULT2A1 Q06520 Bile salt sulfotransferase hsa00980; hsa04976; hsa05204 1EFH; 1J99; 1OV4; 2QP3; 2QP4; 3F3Y; 4IFB 18.6%
10 SLC6A8 P48029 Sodium- and chloride-dependent creatine transporter 1 NA NA 18.5%
11 MMP8 P22894 Neutrophil collagenase NA 18.3%
12 CKM P06732 Creatine kinase M-type hsa00330; hsa01100 1I0E 17.8%
13 HMGCR P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase hsa00900; hsa01100; hsa04152; hsa04976 17.8%
14 COMTD1 Q86VU5 Catechol O-methyltransferase domain-containing protein 1 NA 2AVD 17.6%
15 CKMT1A P12532 Creatine kinase U-type, mitochondrial NA 1QK1 17.5%
16 MAPK8 P45983 Mitogen-activated protein kinase 8 hsa01522; hsa04010; hsa04012; hsa04014; hsa04024; hsa04068; hsa04071; hsa04137; hsa04140; hsa04141; hsa04210; hsa04215; hsa04217; hsa04310; hsa04380; hsa04510; hsa04530; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04664; hsa04668; hsa04722; hsa04723; hsa04728; hsa04750; hsa04910; hsa04912; hsa04914; hsa04917; hsa04920; hsa04926; hsa04930; hsa04931; hsa04932; hsa04933; hsa05120; hsa05131; hsa05132; hsa05133; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05164; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05210; hsa05212; hsa05231; hsa05418 17.0%
17 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 16.6%
18 TRPA1 O75762 Transient receptor potential cation channel subfamily A member 1 hsa04750 3J9P 16.0%
19 MAPK8IP1 Q9UQF2 C-Jun-amino-terminal kinase-interacting protein 1 hsa04010 2G01; 2GMX; 2H96; 3OXI; 3PTG; 3VUD; 3VUG; 3VUH; 3VUI; 3VUK; 3VUL; 3VUM; 4E73; 4G1W; 4H39; 4HYS; 4HYU; 4IZY 15.7%
20 AVPR1A P37288 Vasopressin V1a receptor hsa04020; hsa04072; hsa04080; hsa04270 1YTV 15.6%



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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.