Isoleucine

Isoleucine

SCHEMBL3374935

CC[C@H](C)[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
SLC7A11 Q9UPY5 1/20 0.53
SLC1A3 P43003 4/20 0.38
SLC1A2 P43004 4/20 0.38
SLC1A1 P43005 3/20 0.38
SLC7A5 Q01650 2/20 0.37
ENPEP Q07075 3/20 0.37
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
DPP7 Q9UHL4 2/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
Isoleucine SCHEMBL3371099 0.94 PTGS1 (0.47) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL6809072 0.93 PTGS1 (0.61) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL10610194 0.93 PTGS1 (0.61) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL10610189 0.93 PTGS1 (0.61) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL3497004 0.93 SLC7A5 (0.51) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL21812064 0.91 PTGS1 (0.44) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL4493265 0.89 PTGS1 (0.67) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL971053 0.89 PTGS1 (0.67) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL971052 0.89 PTGS1 (0.67) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL27769582 0.89 PTGS1 (0.67) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329395-B2 Thiamin production by fermentation DSM IP ASSETS B.V. (NL) 2012-12-11 US disclosed
EP-1651780-B1 THIAMIN PRODUCTION BY FERMENTATION DSM IP ASSETS BV (NL) 2010-11-03 EP disclosed
US-20090233296-A1 Thiamin production by fermentation GOESE MARKUS G 2009-09-17 US disclosed
US-20060127993-A1 Thiamin production by fermentation DSM IP ASSETS B.V. (NL) 2006-06-15 US disclosed
EP-1651780-A2 THIAMIN PRODUCTION BY FERMENTATION DSM IP Assets B.V. (NL) 2006-05-03 EP disclosed
WO-2004106557-A2 THIAMIN PRODUCTION BY FERMENTATION DSM IP ASSETS B.V. (NL) 2004-12-09 WO disclosed