Isoleucine

Isoleucine

SCHEMBL6809072

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

nearest known ligand 0.61

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
SLC7A11 Q9UPY5 1/20 0.61
SLC1A3 P43003 4/20 0.42
SLC1A2 P43004 4/20 0.42
SLC1A1 P43005 3/20 0.42
SLC7A5 Q01650 2/20 0.42
ENPEP Q07075 3/20 0.41
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
DPP7 Q9UHL4 2/20 0.36

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 SCHEMBL10610189 1.00 PTGS1 (0.61) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL10610194 1.00 PTGS1 (0.61) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL3374935 0.93 PTGS1 (0.53) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL2973802 0.92 SLC7A5 (0.58) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL2973800 0.92 SLC7A5 (0.58) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL26918680 0.90 PTGS1 (0.50) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL3371099 0.87 PTGS1 (0.47) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL5259001 0.87 PTGS1 (0.47) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL3497004 0.86 SLC7A5 (0.51) PTGS1SLC7A11SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL23045033 0.86 SLC1A3 (0.47) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040064850-A1 Antifungal polypeptide and methods for controlling plant pathogenic fungi MONSANTO TECHNOLOGY, LLC 2004-04-01 US disclosed
US-6653280-B2 Nucleotide sequences coding polypeptide for use in the generation of disease resistant plants MONSANTO TECHNOLOGY LLC 2003-11-25 US disclosed
US-20020144306-A1 Antifungal polypeptide and methods for controlling plant pathogenic fungi MONSANTO COMPANY 2002-10-03 US disclosed
US-6215048-B1 AMINO ACID AND NUCLEOTIDE SEQUENCE; FOR TRANSGENIC PLANTS MONSANTO COMPANY 2001-04-10 US disclosed
EP-0904375-A2 ANTIFUNGAL POLYPEPTIDE AND METHODS FOR CONTROLLING PLANT PATHOGENIC FUNGI MONSANTO COMPANY (US) 1999-03-31 EP disclosed
US-5773696-A CLONING POLYPEPTIDE INTO VECTORS FOR TRANSFORMATION OF PLANT MONSANTO COMPANY (US) 1998-06-30 US disclosed
WO-1997037024-A2 ANTIFUNGAL POLYPEPTIDE AND METHODS FOR CONTROLLING PLANT PATHOGENIC FUNGI MONSANTO COMPANY (US) 1997-10-09 WO disclosed