SCHEMBL1332801

SCHEMBL1332801

O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 11/20 0.81
P2RY6 Q15077 9/20 0.81
P2RY2 P41231 9/20 0.81
P2RY4 P51582 7/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Uridine Diphosphate Glucose SCHEMBL1521203 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL12377960 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL4972812 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL12133202 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL1520993 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL24747518 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL12646851 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL12016940 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL20680471 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4
Uridine Diphosphate Glucose SCHEMBL454078 0.90 P2RY14 (1.00) P2RY14P2RY6P2RY2P2RY4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 US disclosed
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 US disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 WO disclosed