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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: DB03448
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB03448 2'-Deoxyuridine 3'-Monophosphate Thumb


2 known interactions (targets) of input drug (DB03448): 2'-Deoxyuridine 3'-Monophosphate
No. Gene UniProt ID Protein Name Pathway PDB
1 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH
2 RNASE4 P34096 Ribonuclease 4 NA 1RNF; 2RNF


20 predicted interactions (targets) of input drug (DB03448): 2'-Deoxyuridine 3'-Monophosphate
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
25.5%
2 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS 21.7%
3 MAPK1 P28482 Mitogen-activated protein kinase 1 hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04261; hsa04270; hsa04350; hsa04360; hsa04370; hsa04371; hsa04380; hsa04510; hsa04520; hsa04540; hsa04550; hsa04611; hsa04620; hsa04621; hsa04625; hsa04650; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04713; hsa04720; hsa04722; hsa04723; hsa04724; hsa04725; hsa04726; hsa04730; hsa04810; hsa04910; hsa04912; hsa04914; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04928; hsa04930; hsa04933; hsa04934; hsa04960; hsa05010; hsa05020; hsa05034; hsa05131; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 20.7%
4 MB P02144 Myoglobin NA 3RGK 19.4%
5 ADAM28 Q9UKQ2 Disintegrin and metalloproteinase domain-containing protein 28 NA NA 18.8%
6 ANXA5 P08758 Annexin A5 NA 1ANW; 1ANX; 1AVH; 1AVR; 1HAK; 1HVD; 1HVE; 1HVF; 1HVG; 1SAV; 2XO2; 2XO3 18.1%
7 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 17.9%
8 CTSK P43235 Cathepsin K hsa04142; hsa04210; hsa04380; hsa04620; hsa05323 17.3%
9 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA 17.1%
10 GGPS1 O95749 Geranylgeranyl pyrophosphate synthase hsa00900; hsa01100 2Q80 16.7%
11 SLC25A4 P12235 ADP/ATP translocase 1 hsa04020; hsa04022; hsa04217; hsa04218; hsa05012; hsa05016; hsa05166 NA 16.5%
12 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 16.4%
13 DHRS4L1 P0CG22 Putative dehydrogenase/reductase SDR family member 4-like 1 NA NA 15.7%
14 MS4A1 P11836 B-lymphocyte antigen CD20 hsa04640 1S8B; 2OSL; 3BKY; 3PP4 15.0%
15 FNTB P49356 Protein farnesyltransferase subunit beta NA 1JCQ; 1LD7; 1LD8; 1MZC; 1S63; 1SA4; 1TN6; 2F0Y; 2H6F; 2H6G; 2H6H; 2H6I; 2IEJ; 3E37 14.8%
16 GM2A P17900 Ganglioside GM2 activator hsa04142 1G13; 1PU5; 1PUB; 1TJJ; 2AF9; 2AG2; 2AG4; 2AG9 14.7%
17 SEC14L2 O76054 SEC14-like protein 2 NA 1O6U; 1OLM; 4OMJ; 4OMK 14.0%
18 PIM1 P11309 Serine/threonine-protein kinase pim-1 hsa04630; hsa04933; hsa05200; hsa05206; hsa05221 13.7%
19 LYZ P61626 Lysozyme C hsa04970
133L; 134L; 1B5U; 1B5V; 1B5W; 1B5X; 1B5Y; 1B5Z; 1B7L; 1B7M; 1B7N; 1B7O; 1B7P; 1B7Q; 1B7R; 1B7S; 1BB3; 1BB4; 1BB5; 1C43; 1C45; 1C46; 1C7P; 1CJ6; 1CJ7; 1CJ8; 1CJ9; 1CKC; 1CKD; 1CKF; 1CKG; 1CKH; 1D6P; 1D6Q; 1DI3; 1DI4; 1DI5; 1EQ4; 1EQ5; 1EQE; 1GAY; 1GAZ; 1GB0; 1GB2; 1GB3; 1GB5; 1GB6; 1GB7; 1GB8; 1GB9; 1GBO; 1GBW; 1GBX; 1GBY; 1GBZ; 1GDW; 1GDX; 1GE0; 1GE1; 1GE2; 1GE3; 1GE4; 1GEV; 1GEZ; 1GF0; 1GF3; 1GF4; 1GF5; 1GF6; 1GF7; 1GF8; 1GF9; 1GFA; 1GFE; 1GFG; 1GFH; 1GFJ; 1GFK; 1GFR; 1GFT; 1GFU; 1GFV; 1HNL; 1I1Z; 1I20; 1I22; 1INU; 1IOC; 1IP1; 1IP2; 1IP3; 1IP4; 1IP5; 1IP6; 1IP7; 1IWT; 1IWU; 1IWV; 1IWW; 1IWX; 1IWY; 1IWZ; 1IX0; 1IY3; 1IY4; 1JKA; 1JKB; 1JKC; 1JKD; 1JSF; 1JWR; 1LAA; 1LHH; 1LHI; 1LHJ; 1LHK; 1LHL; 1LHM; 1LMT; 1LOZ; 1LYY; 1LZ1; 1LZ4; 1LZ5; 1LZ6; 1LZR; 1LZS; 1OP9; 1OUA; 1OUB; 1OUC; 1OUD; 1OUE; 1OUF; 1OUG; 1OUH; 1OUI; 1OUJ; 1QSW; 1RE2; 1REM; 1REX; 1REY; 1REZ; 1TAY; 1TBY; 1TCY; 1TDY; 1UBZ; 1W08; 1WQM; 1WQN; 1WQO; 1WQP; 1WQQ; 1WQR; 1YAM; 1YAN; 1YAO; 1YAP; 1YAQ; 207L; 208L; 2BQA; 2BQB; 2BQC; 2BQD; 2BQE; 2BQF; 2BQG; 2BQH; 2BQI; 2BQJ; 2BQK; 2BQL; 2BQM; 2BQN; 2BQO; 2HEA; 2HEB; 2HEC; 2HED; 2HEE; 2HEF; 2LHM; 2MEA; 2MEB; 2MEC; 2MED; 2MEE; 2MEF; 2MEG; 2MEH; 2MEI; 2NWD; 2ZIJ; 2ZIK; 2ZIL; 2ZWB; 3EBA; 3FE0; 3LHM; 3LN2; 4I0C; 4ML7; 4R0P
13.7%
20 PDK2 Q15119 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial NA 2BTZ; 2BU2; 2BU5; 2BU6; 2BU7; 2BU8; 4MP2; 4MP7; 4MPC; 4MPE; 4MPN; 4V25; 4V26 13.6%



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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.