Alanine

Alanine

SCHEMBL10991017

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

nearest known ligand 0.65

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.65
SLC1A2 P43004 7/20 0.58
SLC1A1 P43005 7/20 0.58
SLC1A3 P43003 6/20 0.58
ENPEP Q07075 1/20 0.50
GRIK1 P39086 9/20 0.48
GRIK2 Q13002 7/20 0.48
GRIA2 P42262 2/20 0.45
GRIA4 P48058 2/20 0.45
GRIK3 Q13003 2/20 0.45
GRIK5 Q16478 2/20 0.45
GRIA1 P42261 1/20 0.45
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44

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
SCHEMBL4303994 0.89 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3ENPEP
SCHEMBL148584 0.89 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3ENPEP
SCHEMBL445471 0.89 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3ENPEP
SCHEMBL39093 0.89 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3ENPEP
Leucine SCHEMBL9007523 0.85 SLC7A5 (0.90) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Leucine SCHEMBL1585733 0.85 SLC7A5 (0.90) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Leucine SCHEMBL5398677 0.85 SLC7A5 (0.90) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Leucine SCHEMBL6564498 0.85 SLC7A5 (0.90) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Leucine SCHEMBL11046268 0.85 SLC7A5 (0.90) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Leucine SCHEMBL14485408 0.85 SLC7A5 (0.90) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4534881-A Inhibition of inorganic or biological CaCO3 deposition by poly amino acid derivatives UNIVERSITY OF SOUTH ALABAMA (US) 1985-08-13 US claimed