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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O

Prepared SMILES:
OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O

P00491Purine nucleoside phosphorylase (PNP) (EC 2.4.2.1) (Inosine phosphorylase) (Inosine-guanosine phosphorylase)PNP/MTAP phosphorylase familyPNP4860;Homo sapiens (Human)4.041021
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)3.568752
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)3.227283
Q16706Alpha-mannosidase 2 (EC 3.2.1.114) (Golgi alpha-mannosidase II) (AMan II) (Man ...Glycosyl hydrolase 38 familyMAN2A14124;Homo sapiens (Human)3.012314
Q9BTY2Plasma alpha-L-fucosidase (EC 3.2.1.51) (Alpha-L-fucoside fucohydrolase 2) (Alpha-L-fucosidase 2)Glycosyl hydrolase 29 familyFUCA22519;Homo sapiens (Human)3.008775
P04066Tissue alpha-L-fucosidase (EC 3.2.1.51) (Alpha-L-fucosidase I) (Alpha-L-fucoside fucohydrolase 1) (Alpha-L-fucosidase ...Glycosyl hydrolase 29 familyFUCA12517;Homo sapiens (Human)2.670156
Q9GZV3High affinity choline transporter 1 (Hemicholinium-3-sensitive choline transporter) (CHT) (Solute ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A760482;Homo sapiens (Human)2.59437
P43681Neuronal acetylcholine receptor subunit alpha-4Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA41137;Homo sapiens (Human)2.288318
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)2.234729
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.8813110
P49356Protein farnesyltransferase subunit beta (FTase-beta) (EC 2.5.1.58) (CAAX farnesyltransferase subunit ...Protein prenyltransferase subunit beta familyFNTB100529261;2342;Homo sapiens (Human)1.8711411
Q00987E3 ubiquitin-protein ligase Mdm2 (EC 2.3.2.27) (Double minute 2 protein) ...MDM2/MDM4 familyMDM24193;Homo sapiens (Human)1.7703312
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)1.5975213
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)1.5774614
P04062Lysosomal acid glucosylceramidase (Lysosomal acid GCase) (EC 3.2.1.45) (Acid beta-glucosidase) ...Glycosyl hydrolase 30 familyGBA2629;Homo sapiens (Human)1.5613915
Q9HCG7Non-lysosomal glucosylceramidase (NLGase) (EC 3.2.1.45) (Beta-glucocerebrosidase 2) (Beta-glucosidase 2) (Bile ...Non-lysosomal glucosylceramidase familyGBA257704;Homo sapiens (Human)1.51238Known
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)1.4834316
P14410Sucrase-isomaltase, intestinal [Cleaved into: Sucrase (EC 3.2.1.48); Isomaltase (EC 3.2.1.10)]Glycosyl hydrolase 31 familySI6476;Homo sapiens (Human)1.47371Known
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyAMY2A279;Homo sapiens (Human)1.4299317
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.3603418
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.3596319
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.3233820
P06280Alpha-galactosidase A (EC 3.2.1.22) (Alpha-D-galactosidase A) (Alpha-D-galactoside galactohydrolase) (Melibiase) (Agalsidase)Glycosyl hydrolase 27 familyGLA2717;Homo sapiens (Human)1.3224721
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)1.2705322
Q16739Ceramide glucosyltransferase (EC 2.4.1.80) (GLCT-1) (Glucosylceramide synthase) (GCS) (UDP-glucose ceramide ...Glycosyltransferase 2 familyUGCG7357;Homo sapiens (Human)1.2650823
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)1.228524
P06737Glycogen phosphorylase, liver form (EC 2.4.1.1)Glycogen phosphorylase familyPYGL5836;Homo sapiens (Human)1.1869225
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.1865226
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.1833127
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)1.1331328
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A16523;Homo sapiens (Human)1.1067729
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)1.1067130
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)1.0969531
P27487Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...Peptidase S9B family, DPPIV subfamilyDPP41803;Homo sapiens (Human)1.0369432
Q96RJ0Trace amine-associated receptor 1 (TaR-1) (Trace amine receptor 1)G-protein coupled receptor 1 familyTAAR1134864;Homo sapiens (Human)1.0080533
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyEHMT210919;Homo sapiens (Human)0.97492234
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)0.96083435
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)0.92277636
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyGAA2548;Homo sapiens (Human)0.877392Known
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.84664237
O43451Maltase-glucoamylase, intestinal [Includes: Maltase (EC 3.2.1.20) (Alpha-glucosidase); Glucoamylase (EC 3.2.1.3) ...Glycosyl hydrolase 31 familyMGAM8972;Homo sapiens (Human)0.846164Known
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.83260138
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.83163839
P41180Extracellular calcium-sensing receptor (CaR) (CaSR) (hCasR) (Parathyroid cell calcium-sensing receptor ...G-protein coupled receptor 3 familyCASR846;Homo sapiens (Human)0.82439340
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.81779441
O95718Steroid hormone receptor ERR2 (ERR beta-2) (Estrogen receptor-like 2) (Estrogen-related ...Nuclear hormone receptor family, NR3 subfamilyESRRB2103;Homo sapiens (Human)0.79870942
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.79648143
P28300Protein-lysine 6-oxidase (EC 1.4.3.13) (Lysyl oxidase)Lysyl oxidase familyLOX4015;Homo sapiens (Human)0.781235Known
P07305Histone H1.0 (Histone H1') (Histone H1(0)) [Cleaved into: Histone H1.0, ...Histone H1/H5 familyH1F03005;Homo sapiens (Human)0.73106744
Q9NZ08Endoplasmic reticulum aminopeptidase 1 (EC 3.4.11.-) (ARTS-1) (Adipocyte-derived leucine aminopeptidase) ...Peptidase M1 familyERAP151752;Homo sapiens (Human)0.72983945
Q96PN6Adenylate cyclase type 10 (EC 4.6.1.1) (AH-related protein) (Adenylate cyclase ...Adenylyl cyclase class-4/guanylyl cyclase familyADCY1055811;Homo sapiens (Human)0.72445646
P04745Alpha-amylase 1 (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase 1) (Salivary alpha-amylase)Glycosyl hydrolase 13 familyAMY1A; AMY1B; AMY1C276;277;278;Homo sapiens (Human)0.72301847
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)0.72238948
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.71998249
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)0.70886150
Q14697Neutral alpha-glucosidase AB (EC 3.2.1.207) (Alpha-glucosidase 2) (Glucosidase II subunit ...Glycosyl hydrolase 31 familyGANAB23193;Homo sapiens (Human)0.115044Known

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
203202026-01-21
15:16:38		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50Download

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