SCHEMBL1269745

SCHEMBL1269745

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)C=O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.61
TGM2 P21980 1/20 0.59
IMPDH2 P12268 6/20 0.56
KRAS P01116 8/20 0.55
IMPDH1 P20839 2/20 0.54
FUT5 Q11128 1/20 0.54
P2RY2 P41231 1/20 0.52
P2RY4 P51582 1/20 0.52
P2RY6 Q15077 1/20 0.52
HINT1 P49773 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51

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
SCHEMBL8582691 0.93 NT5E (0.59) NT5ETGM2IMPDH2KRASIMPDH1
SCHEMBL180928 0.92 NT5E (0.61) NT5ETGM2IMPDH2KRASIMPDH1
SCHEMBL1235770 0.92 NT5E (0.61) NT5ETGM2IMPDH2KRASIMPDH1
SCHEMBL5061620 0.88 NT5E (0.60) NT5ETGM2IMPDH2KRASIMPDH1
SCHEMBL7571229 0.88 NT5E (0.60) NT5ETGM2IMPDH2KRASIMPDH1
Demannose SCHEMBL2182862 0.88 TGM2 (0.66) NT5ETGM2IMPDH2KRASIMPDH1
Galactose SCHEMBL6046113 0.88 TGM2 (0.66) NT5ETGM2IMPDH2KRASIMPDH1
Demannose SCHEMBL4290630 0.88 TGM2 (0.66) NT5ETGM2IMPDH2KRASIMPDH1
Demannose SCHEMBL20746287 0.88 TGM2 (0.66) NT5ETGM2IMPDH2KRASIMPDH1
Demannose SCHEMBL5163477 0.88 TGM2 (0.66) NT5ETGM2IMPDH2KRASIMPDH1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8849577-B2 Methods of identifying biochemical pathways METABOLON, INC. (US) 2014-09-30 US disclosed
EP-1582581-B1 Saccharide composition synthesizer HITACHI HIGH TECH CORP (JP) 2013-07-03 EP disclosed
US-8435763-B2 from cultures of microorganisms in the presence of enzymes; used for immunotherapy, preventing bacterial or viral infections and treating cardiovascular disorders KYOWA HAKKO BIO CO., LTD. (JP) 2013-05-07 US disclosed
US-8232079-B2 Oligosaccharide synthesizer HITACHI HIGH-TECHNOLOGIES CORPORATION (JP) 2012-07-31 US disclosed
EP-1422290-B1 Apparatus for oligosaccharide synthesis HITACHI HIGH TECH CORP (JP) 2011-06-15 EP disclosed
US-7883873-B2 sugar chain synthesizer capable of continuously reacting sugar chains when a plurality of sugar chains are successively reacted; includes a plurality of vessels containing respective sugar nucleotide solutions, a plurality of vessels containing respective glycosyltransferases, and a reactor HITACHI HIGH-TECHNOLOGIES CORPORATION (JP) 2011-02-08 US disclosed
US-7700701-B2 Water-soluble polymer compound having sugar chains TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-04-20 US disclosed
US-20080161228-A1 Using metabolomics to expedite drug discovery and development; invention provides means to select and advance most selective lead compounds from series of candidates based on metabolomic profiles which contain data regarding both expected or intended (e.g., on-target) and unexpected effects of compounds METABOLON INC. (US) 2008-07-03 US disclosed
WO-2008033575-A9 METHODS OF IDENTIFYING BIOCHEMICAL PATHWAYS METABOLON INC (US) 2008-06-26 WO disclosed
WO-2008033575-A2 METHODS OF IDENTIFYING BIOCHEMICAL PATHWAYS METABOLON, INC. (US) 2008-03-20 WO disclosed
US-20030119090-A1 Mannosyl transfer with regeneration of GDP-mannose WONG CHI-HUEY (US) 2003-06-26 US disclosed
US-6485930-B1 Mannosyl transfer with regeneration of GDP-mannose THE SCRIPPS RESEARCH INSTITUTE 2002-11-26 US disclosed
US-20020068331-A1 Production of fucosylated carbohydrates by enzymatic fucosylation synthesis of sugar nucleotides; and in situ regeneration of GDP-fucose WONG CHI-HUEY (US) 2002-06-06 US disclosed
US-6319695-B1 FORMING A GLYCOSIDE BOND BY ETHERIFICATION AND CIRCULATION THE SCRIPPS RESEARCH INSITUTE 2001-11-20 US disclosed
US-6046040-A Method for producing glycoconjugates TOYO BOSEKI KABUSHIKI KAISHA (JP) 2000-04-04 US disclosed
EP-0642526-B1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE SCRIPPS RESEARCH INST (US) 1998-12-23 EP disclosed
EP-0870841-A1 PROCESSES FOR PRODUCING SUGAR NUCLEOTIDES AND COMPLEX CARBOHYDRATES KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-10-14 EP disclosed
EP-0642526-A4 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE. SCRIPPS RESEARCH INST (US) 1996-04-10 EP disclosed
EP-0642526-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1995-03-15 EP disclosed
WO-1993008205-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1993-04-29 WO disclosed