Job ID(s):

Get results

Results

Download as: CSV TSV

CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
O1P(=O)(NCCC1)N(CCCl)CCCl

Prepared SMILES:
ClCCN(P1(=O)NCCCO1)CCCl

P54803Galactocerebrosidase (GALCERase) (EC 3.2.1.46) (Galactocerebroside beta-galactosidase) (Galactosylceramidase) (Galactosylceramide beta-galactosidase)Glycosyl hydrolase 59 familyP548032581Homo sapiens (Human)0.001590291
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.001236392
Q6W5P4Neuropeptide S receptor (G-protein coupled receptor 154) (G-protein coupled receptor ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyQ6W5P4387129Homo sapiens (Human)0.001174633
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...P8391610951Homo sapiens (Human)0.001115754
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.001036775
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.0008768616
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.0008535817
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0008506338
P28482Mitogen-activated protein kinase 1 (MAP kinase 1) (MAPK 1) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...P284825594Homo sapiens (Human)0.0008080679
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.367) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyQ96KQ710919Homo sapiens (Human)0.00077965910
Q06124Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1D) ...Protein-tyrosine phosphatase family, Non-receptor class 2 subfamilyQ061245781Homo sapiens (Human)0.0006600911
P215895'-nucleotidase (5'-NT) (EC 3.1.3.5) (Ecto-5'-nucleotidase) (CD antigen CD73)5'-nucleotidase familyP215894907Homo sapiens (Human)0.00063438712
P22413Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (E-NPP 1) (Membrane component chromosome ...Nucleotide pyrophosphatase/phosphodiesterase familyP224135167Homo sapiens (Human)0.00063089213
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyP147804318Homo sapiens (Human)0.0005533414
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00054301415
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00046357316
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyQ153919934Homo sapiens (Human)0.00045126817
Q15077P2Y purinoceptor 6 (P2Y6)G-protein coupled receptor 1 familyQ150775031Homo sapiens (Human)0.00043715718
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyP492864544Homo sapiens (Human)0.000431119
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyP231411066Homo sapiens (Human)0.0004166120
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyP480394543Homo sapiens (Human)0.00041287221
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyP352284843Homo sapiens (Human)0.0004092622
P30559Oxytocin receptor (OT-R)G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP305595021Homo sapiens (Human)0.00040925823
P191741-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (EC 3.1.4.11) (PLC-148) (Phosphoinositide phospholipase C-gamma-1) ...P191745335Homo sapiens (Human)0.000407524
P51575P2X purinoceptor 1 (P2X1) (ATP receptor) (Purinergic receptor)P2X receptor familyP515755023Homo sapiens (Human)0.00037371825
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyP007482161Homo sapiens (Human)0.00036578226
P63092Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Adenylate cyclase-stimulating ...G-alpha family, G(s) subfamilyP630922778Homo sapiens (Human)0.00036062327
P37288Vasopressin V1a receptor (V1aR) (AVPR V1a) (Antidiuretic hormone receptor 1a) ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP37288552Homo sapiens (Human)0.00035982328
P07288Prostate-specific antigen (PSA) (EC 3.4.21.77) (Gamma-seminoprotein) (Seminin) (Kallikrein-3) (P-30 antigen) ...Peptidase S1 family, Kallikrein subfamilyP07288354Homo sapiens (Human)0.00035107229
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ...Amidase familyO005192166Homo sapiens (Human)0.00034784830
Q5R387Putative inactive group IIC secretory phospholipase A2 (Phosphatidylcholine 2-acylhydrolase-like protein ...Phospholipase A2 familyQ5R387391013Homo sapiens (Human)0.00034654931
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyO957499453Homo sapiens (Human)0.0003411332
P20618Proteasome subunit beta type-1 (Macropain subunit C5) (Multicatalytic endopeptidase complex ...Peptidase T1B familyP206185689Homo sapiens (Human)0.00033372233
P25021Histamine H2 receptor (H2R) (HH2R) (Gastric receptor I)G-protein coupled receptor 1 familyP250213274Homo sapiens (Human)0.00033243334
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyP215541268Homo sapiens (Human)0.00031926335
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00030522436
P49721Proteasome subunit beta type-2 (Macropain subunit C7-I) (Multicatalytic endopeptidase complex ...Peptidase T1B familyP497215690Homo sapiens (Human)0.0002910137
O75762Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ...Transient receptor (TC 1.A.4) familyO757628989Homo sapiens (Human)0.00028102438
Q99700Ataxin-2 (Spinocerebellar ataxia type 2 protein) (Trinucleotide repeat-containing gene 13 ...Ataxin-2 familyQ997006311Homo sapiens (Human)0.00027359239
P29475Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...NOS familyP294754842Homo sapiens (Human)0.00026900840
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyQ9Y5N111255Homo sapiens (Human)0.00026880341
P46063ATP-dependent DNA helicase Q1 (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyP460635965Homo sapiens (Human)0.00026572542
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00026430543
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyP143242224Homo sapiens (Human)0.00026308344
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.00025783445
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyP280745693Homo sapiens (Human)0.00025487346
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108277067Homo sapiens (Human)0.0002520747
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00024718548
P56373P2X purinoceptor 3 (P2X3) (ATP receptor) (Purinergic receptor)P2X receptor familyP563735024Homo sapiens (Human)0.00024542849
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.0002446550

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192752025-11-17
21:12:47		Target proteinsBalanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)Global drug-target interaction (DTI) network for the study of AA13 (version 2022)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.3, β = 0.1, γ = -0.5, k = 2, Top 50Download

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 349177 | Page view: 2642617

Copyright © 2019-2023 Laboratory of Molecular Modeling and Design, School of Pharmacy,
East China University of Science and Technology. All rights reserved.