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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
S(=O)(=O)(c1cc(c(c(c1)Br)OCC(CBr)Br)Br)c1cc(c(c(c1)Br)OCC(CBr)Br)Br

Prepared SMILES:
BrCC(COc1c(Br)cc(cc1Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)OCC(CBr)Br)Br

P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)0.07512241
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)0.05237812
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.02003093
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRB7068;Homo sapiens (Human)0.01947514
P15121Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1B1231;Homo sapiens (Human)0.01880345
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.01798086
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)0.01746857
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)0.01678158
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.01503829
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)0.014942810
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)0.01410111
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)0.013945312
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)0.013291413
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)0.013183614
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.012486515
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)0.012120716
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)0.012075417
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.011555318
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.011548219
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.010712120
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.010565621
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.010351522
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)0.010102623
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)0.0098938224
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.0098000425
P0825372 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...Peptidase M10A familyMMP24313;Homo sapiens (Human)0.0097245526
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)0.0097213827
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)0.0097204128
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyMMP94318;Homo sapiens (Human)0.0094651729
P22894Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)Peptidase M10A familyMMP84317;Homo sapiens (Human)0.008767630
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)0.0085665231
P50281Matrix metalloproteinase-14 (MMP-14) (EC 3.4.24.80) (MMP-X1) (Membrane-type matrix metalloproteinase 1) ...Peptidase M10A familyMMP144323;Homo sapiens (Human)0.0085076832
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.0084015133
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)0.008393934
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.0083312135
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.0082695736
P39900Macrophage metalloelastase (MME) (EC 3.4.24.65) (Macrophage elastase) (ME) (hME) (Matrix ...Peptidase M10A familyMMP124321;Homo sapiens (Human)0.0081080637
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.0079730538
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)0.0078923339
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.0078211240
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.007738141
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.0077009542
P51512Matrix metalloproteinase-16 (MMP-16) (EC 3.4.24.-) (MMP-X2) (Membrane-type matrix metalloproteinase 3) ...Peptidase M10A familyMMP164325;Homo sapiens (Human)0.007688743
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)0.0073664444
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)0.0072681745
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)0.0072629946
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.0072195447
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.007158548
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)0.0069619149
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)0.0068544350

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192882025-11-17
21:16:07		Target proteinsSubstructure-Drug-Target Network-Based Inference (SDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadk = 2, Top 50Download

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