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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C(CC)(CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)[C@@H](C)O)C

Prepared SMILES:
NCC[C@@H](C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCC(CC)C)CCN

O00206Toll-like receptor 4 (hToll) (CD antigen CD284)Toll-like receptor familyO002067099Homo sapiens (Human)0.003332111
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.0009955382
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyP492864544Homo sapiens (Human)0.0006001253
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyP480394543Homo sapiens (Human)0.0005793354
P07099Epoxide hydrolase 1 (EC 3.3.2.9) (Epoxide hydratase) (Microsomal epoxide hydrolase) ...Peptidase S33 familyP070992052Homo sapiens (Human)0.0005491765
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98) (Protein deacetylase HDAC1) (EC ...Histone deacetylase family, HD type 1 subfamilyQ135473065Homo sapiens (Human)0.0005491736
P25116Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)G-protein coupled receptor 1 familyP251162149Homo sapiens (Human)0.0004778257
P56703Proto-oncogene Wnt-3 (Proto-oncogene Int-4 homolog)Wnt familyP567037473Homo sapiens (Human)0.0004741568
Q8N474Secreted frizzled-related protein 1 (FRP-1) (sFRP-1) (Secreted apoptosis-related protein 2) ...Secreted frizzled-related protein (sFRP) familyQ8N4746422Homo sapiens (Human)0.0004741569
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00041399110
Q7Z2W7Transient receptor potential cation channel subfamily M member 8 (Long ...Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM8 sub-subfamilyQ7Z2W779054Homo sapiens (Human)0.0004029111
P30559Oxytocin receptor (OT-R)G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP305595021Homo sapiens (Human)0.0003925312
P07858Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ...Peptidase C1 familyP078581508Homo sapiens (Human)0.0003879213
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00038452114
P47901Vasopressin V1b receptor (V1bR) (AVPR V1b) (AVPR V3) (Antidiuretic hormone ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP47901553Homo sapiens (Human)0.00037199615
Q9UBN7Histone deacetylase 6 (HD6) (EC 3.5.1.98) (Tubulin-lysine deacetylase HDAC6) (EC ...Histone deacetylase family, HD type 2 subfamilyQ9UBN710013Homo sapiens (Human)0.00037156616
P37288Vasopressin V1a receptor (V1aR) (AVPR V1a) (Antidiuretic hormone receptor 1a) ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP37288552Homo sapiens (Human)0.00035844217
P03956Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...Peptidase M10A familyP039564312Homo sapiens (Human)0.00035547418
P30518Vasopressin V2 receptor (V2R) (AVPR V2) (Antidiuretic hormone receptor) (Renal-type ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyP30518554Homo sapiens (Human)0.00035042819
P30874Somatostatin receptor type 2 (SS-2-R) (SS2-R) (SS2R) (SST2) (SRIF-1)G-protein coupled receptor 1 familyP308746752Homo sapiens (Human)0.00033939720
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00033833221
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00033607822
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyQ997052847Homo sapiens (Human)0.0003290323
P00797Renin (EC 3.4.23.15) (Angiotensinogenase)Peptidase A1 familyP007975972Homo sapiens (Human)0.00032791824
P31391Somatostatin receptor type 4 (SS-4-R) (SS4-R) (SS4R) (SST4)G-protein coupled receptor 1 familyP313916754Homo sapiens (Human)0.00032766825
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyP007342147Homo sapiens (Human)0.00032656626
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyP215541268Homo sapiens (Human)0.00031768127
P32745Somatostatin receptor type 3 (SS-3-R) (SS3-R) (SS3R) (SST3) (SSR-28)G-protein coupled receptor 1 familyP327456753Homo sapiens (Human)0.00031720428
P35346Somatostatin receptor type 5 (SS-5-R) (SS5-R) (SS5R) (SST5)G-protein coupled receptor 1 familyP353466755Homo sapiens (Human)0.00030741129
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00030395930
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)0.00030143431
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyP411434985Homo sapiens (Human)0.00029986932
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyP411454986Homo sapiens (Human)0.00029682533
P41587Vasoactive intestinal polypeptide receptor 2 (VIP-R-2) (Helodermin-preferring VIP receptor) (Pituitary ...G-protein coupled receptor 2 familyP415877434Homo sapiens (Human)0.00029120534
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyP353724988Homo sapiens (Human)0.00029080435
O15379Histone deacetylase 3 (HD3) (EC 3.5.1.98) (Protein deacetylase HDAC3) (EC ...Histone deacetylase family, HD type 1 subfamilyO153798841Homo sapiens (Human)0.00029043736
P07384Calpain-1 catalytic subunit (EC 3.4.22.52) (Calcium-activated neutral proteinase 1) (CANP ...Peptidase C2 familyP07384823Homo sapiens (Human)0.000290137
P29371Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin ...G-protein coupled receptor 1 familyP293716870Homo sapiens (Human)0.00028912238
P30968Gonadotropin-releasing hormone receptor (GnRH receptor) (GnRH-R)G-protein coupled receptor 1 familyP309682798Homo sapiens (Human)0.00028487239
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyQ8NER17442Homo sapiens (Human)0.00028194540
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00028156441
P30872Somatostatin receptor type 1 (SS-1-R) (SS1-R) (SS1R) (SST1) (SRIF-2)G-protein coupled receptor 1 familyP308726751Homo sapiens (Human)0.00028108942
P43235Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)Peptidase C1 familyP432351513Homo sapiens (Human)0.00028106743
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyP411464987Homo sapiens (Human)0.00027742144
P12872Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]Motilin familyP128724295Homo sapiens (Human)0.00027650845
P47872Secretin receptor (SCT-R)G-protein coupled receptor 2 familyP478726344Homo sapiens (Human)0.00026407546
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyP143242224Homo sapiens (Human)0.00025987447
Q07001Acetylcholine receptor subunit deltaLigand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...Q070011144Homo sapiens (Human)0.00025707248
Q9BY41Histone deacetylase 8 (HD8) (EC 3.5.1.98) (Protein deacetylase HDAC8) (EC ...Histone deacetylase family, HD type 1 subfamilyQ9BY4155869Homo sapiens (Human)0.00025181249
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.00024502650

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
191672025-11-17
16:10:05		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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