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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C(CCl)OP(=O)(O)OCCCl

Prepared SMILES:
ClCCOP(=O)(OCCCl)O

Q9UBL9P2X purinoceptor 2 (P2X2) (ATP receptor) (Purinergic receptor)P2X receptor familyP2RX222953;Homo sapiens (Human)2.442211
P51149Ras-related protein Rab-7aSmall GTPase superfamily, Rab familyRAB7A7879;Homo sapiens (Human)2.347512
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)2.23363
Q9H244P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ...G-protein coupled receptor 1 familyP2RY1264805;Homo sapiens (Human)2.185934
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.1655
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)2.041746
P52732Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamilyKIF113832;Homo sapiens (Human)1.986577
Q9BXC1Probable G-protein coupled receptor 174G-protein coupled receptor 1 familyGPR17484636;Homo sapiens (Human)1.980198
Q9H1C0Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR557121;Homo sapiens (Human)1.919489
P47900P2Y purinoceptor 1 (P2Y1) (ADP receptor) (Purinergic receptor)G-protein coupled receptor 1 familyP2RY15028;Homo sapiens (Human)1.8766510
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.811811
Q13304Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...G-protein coupled receptor 1 familyGPR172840;Homo sapiens (Human)1.7357912
P41231P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) ...G-protein coupled receptor 1 familyP2RY25029;Homo sapiens (Human)1.7006913
P56373P2X purinoceptor 3 (P2X3) (ATP receptor) (Purinergic receptor)P2X receptor familyP2RX35024;Homo sapiens (Human)1.6832814
Q9UPC5Probable G-protein coupled receptor 34G-protein coupled receptor 1 familyGPR342857;Homo sapiens (Human)1.6369915
P53602Diphosphomevalonate decarboxylase (EC 4.1.1.33) (Mevalonate (diphospho)decarboxylase) (MDDase) (Mevalonate pyrophosphate decarboxylase)Diphosphomevalonate decarboxylase familyMVD4597;Homo sapiens (Human)1.5365816
Q86WV6Stimulator of interferon genes protein (hSTING) (Endoplasmic reticulum interferon stimulator) ...TMEM173 familyTMEM173340061;Homo sapiens (Human)1.4695217
P51575P2X purinoceptor 1 (P2X1) (ATP receptor) (Purinergic receptor)P2X receptor familyP2RX15023;Homo sapiens (Human)1.4641718
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyGGPS19453;Homo sapiens (Human)1.4116919
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.3384220
P20839Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) ...IMPDH/GMPR familyIMPDH13614;Homo sapiens (Human)1.3307921
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.3190822
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyP2RY149934;Homo sapiens (Human)1.2740223
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.2333524
Q8NET8Transient receptor potential cation channel subfamily V member 3 (TrpV3) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV3 sub-subfamilyTRPV3162514;Homo sapiens (Human)1.1539725
Q15077P2Y purinoceptor 6 (P2Y6)G-protein coupled receptor 1 familyP2RY65031;Homo sapiens (Human)1.1531426
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.1352127
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)1.1044328
P51582P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)G-protein coupled receptor 1 familyP2RY45030;Homo sapiens (Human)1.0889129
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)1.0656830
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.0159731
Q5R387Putative inactive group IIC secretory phospholipase A2 (Phosphatidylcholine 2-acylhydrolase-like protein ...Phospholipase A2 familyPLA2G2CHomo sapiens (Human)132
O75762Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ...Transient receptor (TC 1.A.4) familyTRPA18989;Homo sapiens (Human)0.97845533
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyFDPS2224;Homo sapiens (Human)0.96109134
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.91202835
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)0.88840136
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)0.87222737
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.86847838
Q13363C-terminal-binding protein 1 (CtBP1) (EC 1.1.1.-)D-isomer specific 2-hydroxyacid dehydrogenase familyCTBP11487;Homo sapiens (Human)0.86067139
O15554Intermediate conductance calcium-activated potassium channel protein 4 (SK4) (SKCa 4) ...Potassium channel KCNN family, KCa3.1/KCNN4 subfamilyKCNN43783;Homo sapiens (Human)0.84122540
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.84104541
P07288Prostate-specific antigen (PSA) (EC 3.4.21.77) (Gamma-seminoprotein) (Seminin) (Kallikrein-3) (P-30 antigen) ...Peptidase S1 family, Kallikrein subfamilyKLK3354;Homo sapiens (Human)0.82841742
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.81513343
Q92633Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR11902;Homo sapiens (Human)0.79289744
P11086Phenylethanolamine N-methyltransferase (PNMTase) (EC 2.1.1.28) (Noradrenaline N-methyltransferase)Class I-like SAM-binding methyltransferase superfamily, NNMT/PNMT/TEMT familyPNMT5409;Homo sapiens (Human)0.78689445
Q96G91P2Y purinoceptor 11 (P2Y11)G-protein coupled receptor 1 familyP2RY115032;Homo sapiens (Human)0.75040246
O15294UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (EC 2.4.1.255) (O-GlcNAc transferase subunit ...Glycosyltransferase 41 family, O-GlcNAc transferase subfamilyOGT8473;Homo sapiens (Human)0.74472747
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)0.73614748
P0DMV8Heat shock 70 kDa protein 1A (Heat shock 70 kDa ...Heat shock protein 70 familyHSPA1A3303;3304;Homo sapiens (Human)0.70373449
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)0.70177650

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
162062025-07-25
09:48:36		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.1, β = 0.1, γ = -0.8, k = 2, Top 50Download

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