Isoleucine

Isoleucine

SCHEMBL1965718

CC(O)C(N)C(=O)O.CCC(C)C(N)C(=O)O.NC(=O)CC(N)C(=O)O

nearest known ligand 0.41

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.41
SLC1A2 P43004 4/20 0.41
SLC1A1 P43005 3/20 0.41
SLC7A5 Q01650 2/20 0.40
GRIK1 P39086 9/20 0.38
GRIA4 P48058 3/20 0.38
GRIK3 Q13003 3/20 0.38
GRIK5 Q16478 3/20 0.38
GRIK2 Q13002 5/20 0.37
GRIA2 P42262 2/20 0.37
GRIA1 P42261 1/20 0.37
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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 SCHEMBL610595 1.00 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL20913227 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL20913224 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL17582482 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL17582473 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL23645012 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL20913222 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL20913231 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL17582462 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL17582471 0.95 SLC7A5 (0.44) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803292-A Control of protein glycosylation and compositions and methods related thereto PFIZER 2012-11-28 CN claimed
CN-102803292-A Control of protein glycosylation and compositions and methods related thereto PFIZER 2012-11-28 CN disclosed
WO-2011072264-A2 METHODS AND COMPOSITIONS FOR BIOMASS TREATMENT QTEROS, INC. (US) 2011-06-16 WO disclosed