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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
c1(ccc(cc1)N(CCCl)CCCl)CCCC(=O)O

Prepared SMILES:
ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl

Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.0895623Known
P19838Nuclear factor NF-kappa-B p105 subunit (DNA-binding factor KBF1) (EBP-1) (Nuclear ...NFKB14790;Homo sapiens (Human)0.049138Known
P08684Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...Cytochrome P450 familyCYP3A41576;Homo sapiens (Human)0.03480121
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)0.03230792
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.02355813
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.02240244
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)0.02184265
Q12809Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ...Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamilyKCNH23757;Homo sapiens (Human)0.01945586
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.01916787
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.01890928
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)0.0188569
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.018537510
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)0.017998211
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)0.017680812
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.017186813
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)0.016844414
O15379Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45)Histone deacetylase family, HD type 1 subfamilyHDAC38841;Homo sapiens (Human)0.016786615
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)0.016687216
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)0.016392217
Q9UBN7Histone deacetylase 6 (HD6) (EC 3.5.1.98)Histone deacetylase family, HD type 2 subfamilyHDAC610013;Homo sapiens (Human)0.01628118
Q9BY41Histone deacetylase 8 (HD8) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC855869;Homo sapiens (Human)0.016197819
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)0.016010920
P04626Receptor tyrosine-protein kinase erbB-2 (EC 2.7.10.1) (Metastatic lymph node gene ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyERBB22064;Homo sapiens (Human)0.015887321
Q969S8Polyamine deacetylase HDAC10 (EC 3.5.1.48) (EC 3.5.1.62) (Histone deacetylase 10) ...Histone deacetylase family, HD type 2 subfamilyHDAC1083933;Homo sapiens (Human)0.015094122
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)0.015079423
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.014818224
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.014801625
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.014199326
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)0.013938627
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.013614528
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.013421329
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)0.013272830
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)0.01288831
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.012661932
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)0.01262433
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.012375934
P08913Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamilyADRA2A150;Homo sapiens (Human)0.012350935
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.011678736
P00352Retinal dehydrogenase 1 (RALDH 1) (RalDH1) (EC 1.2.1.-) (EC 1.2.1.36) ...Aldehyde dehydrogenase familyALDH1A1216;Homo sapiens (Human)0.011619837
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)0.01144538
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.011153439
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)0.01049140
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.01038941
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyFOLH12346;Homo sapiens (Human)0.010339242
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)0.010201143
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.010164244
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)0.010006145
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.0096624746
P18089Alpha-2B adrenergic receptor (Alpha-2 adrenergic receptor subtype C2) (Alpha-2B adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2B sub-subfamilyADRA2B151;Homo sapiens (Human)0.0096125947
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.0093981848
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.009263149
O75496GemininGeminin familyGMNN51053;Homo sapiens (Human)0.0092241450

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
195292025-11-28
15:49:54		Target proteinsSubstructure-Drug-Target Network-Based Inference (SDTNBI)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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