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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
c12c(c(c3c(n1)CCCC3)N)cccc2.Cl

Prepared SMILES:
Nc1c2CCCCc2nc2c1cccc2

P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyP2230343Homo sapiens (Human)0.003214111
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyP06276590Homo sapiens (Human)0.001434212
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyQ9Y5N111255Homo sapiens (Human)0.0005020683
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyQ8NER17442Homo sapiens (Human)0.000487184
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...P112291128Homo sapiens (Human)0.0004632425
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.000442546
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyQ997052847Homo sapiens (Human)0.0004155567
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyP415942915Homo sapiens (Human)0.0004137998
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.0003990099
P09874Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...ARTD/PARP familyP09874142Homo sapiens (Human)0.00039368910
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00037792511
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid A4 ...APP familyP05067351Homo sapiens (Human)0.00036620512
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyP003741719Homo sapiens (Human)0.00036210613
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyP785275591Homo sapiens (Human)0.00036193114
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyP155381584Homo sapiens (Human)0.00035541115
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyP231411066Homo sapiens (Human)0.00035372516
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (Aldosterone-synthesizing enzyme) (CYPXIB2) ...Cytochrome P450 familyP190991585Homo sapiens (Human)0.00035116317
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyP29274135Homo sapiens (Human)0.00034748218
Q9Y4D2Diacylglycerol lipase-alpha (DAGL-alpha) (DGL-alpha) (EC 3.1.1.116) (Neural stem cell-derived dendrite ...AB hydrolase superfamily, Lipase familyQ9Y4D2747Homo sapiens (Human)0.00034021919
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ...Flavin monoamine oxidase familyP273384129Homo sapiens (Human)0.00033153420
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00033010821
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyQ927312100Homo sapiens (Human)0.0003187822
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00031028823
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00029560624
P30542Adenosine receptor A1G-protein coupled receptor 1 familyP30542134Homo sapiens (Human)0.00029560125
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyP0DMS8140Homo sapiens (Human)0.00029221226
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-subfamilyQ128093757Homo sapiens (Human)0.00029058727
P15559NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ...NAD(P)H dehydrogenase (quinone) familyP155591728Homo sapiens (Human)0.00028767328
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyP504063362Homo sapiens (Human)0.0002838429
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ...Amidase familyO005192166Homo sapiens (Human)0.00028329130
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyP282233356Homo sapiens (Human)0.00028235231
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyP144161813Homo sapiens (Human)0.00027626132
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyP283353358Homo sapiens (Human)0.00027590733
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.00027040134
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 subfamilyP005331956Homo sapiens (Human)0.00026473735
P54803Galactocerebrosidase (GALCERase) (EC 3.2.1.46) (Galactocerebroside beta-galactosidase) (Galactosylceramidase) (Galactosylceramide beta-galactosidase)Glycosyl hydrolase 59 familyP548032581Homo sapiens (Human)0.0002617836
Q04844Acetylcholine receptor subunit epsilonLigand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...Q048441145Homo sapiens (Human)0.00026168837
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyP051771544Homo sapiens (Human)0.00025693738
P10635Cytochrome P450 2D6 (EC 1.14.14.-) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyP106351565Homo sapiens (Human)0.0002546439
P22888Lutropin-choriogonadotropic hormone receptor (LH/CG-R) (Luteinizing hormone receptor) (LHR) (LSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP228883973Homo sapiens (Human)0.00025308540
P51679C-C chemokine receptor type 4 (C-C CKR-4) (CC-CKR-4) (CCR-4) (CCR4) ...G-protein coupled receptor 1 familyP516791233Homo sapiens (Human)0.00025298141
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.00025176442
P08684Cytochrome P450 3A4 (EC 1.14.14.1) (1,4-cineole 2-exo-monooxygenase) (1,8-cineole 2-exo-monooxygenase) (EC ...Cytochrome P450 familyP086841576Homo sapiens (Human)0.00024868743
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyP160834835Homo sapiens (Human)0.00024724644
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.00024629745
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familyQ9972010280Homo sapiens (Human)0.00023921246
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyQ16790768Homo sapiens (Human)0.00023705347
P09936Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1) (EC 3.4.19.12) (Neuron cytoplasmic ...Peptidase C12 familyP099367345Homo sapiens (Human)0.00023620448
P52732Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamilyP527323832Homo sapiens (Human)0.00023606949
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98) (Protein deacetylase HDAC1) (EC ...Histone deacetylase family, HD type 1 subfamilyQ135473065Homo sapiens (Human)0.00023598150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192212025-11-17
20:38:11		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

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