Job ID(s):

Results

Download as: CSV TSV

CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
C/13=C/C(CCCC)=C\C(CC(N)C)=C1\C\C2=C\[O+]=C/C4=C2/C3CC4C(O)C

Prepared SMILES:
CCCCc1cc(CC(N)C)c2c(c1)C1CC(c3c1c(C2)c[o+]c3)C(O)C

hsa04610Complement and coagulation cascades0.0006251561
hsa04510Focal adhesion0.0005358772
hsa03320PPAR signaling pathway0.0004854853
hsa00100Steroid biosynthesis0.0004676634
hsa04151PI3K-Akt signaling pathway0.0004502355
hsa04915Estrogen signaling pathway0.000449456
hsa04974Protein digestion and absorption0.0004461767
hsa04978Mineral absorption0.00044148
hsa04640Hematopoietic cell lineage0.0004251539
hsa04612Antigen processing and presentation0.00038419610
hsa04216Ferroptosis0.00035646711
hsa04115p53 signaling pathway0.00031554312
hsa04657IL-17 signaling pathway0.00031005713
hsa04924Renin secretion0.0003003714
hsa04010MAPK signaling pathway0.00028884115
hsa04062Chemokine signaling pathway0.00026545416
hsa04964Proximal tubule bicarbonate reclamation0.00026234217
hsa04015Rap1 signaling pathway0.00026008418
hsa04670Leukocyte transendothelial migration0.00025940119
hsa04066HIF-1 signaling pathway0.00025899220
hsa04520Adherens junction0.00025124521
hsa04218Cellular senescence0.00025100722
hsa04068FoxO signaling pathway0.00024669523
hsa04972Pancreatic secretion0.00024172724
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024148925
hsa04668TNF signaling pathway0.00024070926
hsa04918Thyroid hormone synthesis0.00023793527
hsa00380Tryptophan metabolism0.00023248928
hsa04960Aldosterone-regulated sodium reabsorption0.00023173829
hsa00480Glutathione metabolism0.00023068230
hsa04923Regulation of lipolysis in adipocytes0.0002301731
hsa00010Glycolysis / Gluconeogenesis0.0002292432
hsa04913Ovarian steroidogenesis0.00022908633
hsa00910Nitrogen metabolism0.00022629634
hsa00980Metabolism of xenobiotics by cytochrome P4500.00022604235
hsa00340Histidine metabolism0.00022008536
hsa04970Salivary secretion0.00021994237
hsa00250Alanine, aspartate and glutamate metabolism0.00021756138
hsa04210Apoptosis0.00021615339
hsa04350TGF-beta signaling pathway0.00021523740
hsa00900Terpenoid backbone biosynthesis0.00020753941
hsa04971Gastric acid secretion0.00020674442
hsa04979Cholesterol metabolism0.00020354243
hsa04672Intestinal immune network for IgA production0.00020310244
hsa04926Relaxin signaling pathway0.00020277745
hsa04310Wnt signaling pathway0.00020259146
hsa04110Cell cycle0.00020029547
hsa00051Fructose and mannose metabolism0.00019880548
hsa04614Renin-angiotensin system0.00019447649
hsa04540Gap junction0.00019115450

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
196482025-12-05
02:40:02
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCS Downloadα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50Download

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 346854 | Page view: 2638004

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