Alanine

Alanine

SCHEMBL7488681

C[C@H](N)C(=O)O.c1cc[nH]c1.c1ccsc1

nearest known ligand 0.33

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.33
GRIK1 P39086 2/20 0.31
GRIA2 P42262 2/20 0.31
GRIA4 P48058 2/20 0.31
GRIK3 Q13003 2/20 0.31
GRIK5 Q16478 2/20 0.31
GRIA1 P42261 1/20 0.31
GRIK2 Q13002 1/20 0.31
LTA4H P09960 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
Alanine SCHEMBL389574 0.88 SLC7A5 (0.41) SLC7A5GRIK1GRIA2GRIA4GRIK3
Alanine SCHEMBL5224821 0.88 SLC7A5 (0.40) SLC7A5LTA4HSLC1A3SLC1A2SLC1A1
Alanine SCHEMBL4052793 0.88 SLC7A5 (0.40) SLC7A5LTA4HSLC1A3SLC1A2SLC1A1
Alanine SCHEMBL1577981 0.88 SLC7A5 (0.41) SLC7A5GRIK1GRIA2GRIA4GRIK3
D-Alanine SCHEMBL9174821 0.88 SLC7A5 (0.40) SLC7A5LTA4HSLC1A3SLC1A2SLC1A1
Alanine SCHEMBL9653878 0.86 SLC7A5 (0.39) SLC7A5GRIK1GRIA2GRIA4GRIK3
Benzene SCHEMBL27737074 0.76
Thiophene SCHEMBL28738281 0.74 TP53 (0.38) SLC7A5
Pyrrole SCHEMBL28150602 0.74 TDP1 (0.43)
Valine SCHEMBL111113 0.74 SLC7A5 (0.65) SLC7A5GRIK1GRIA2GRIA4GRIK3

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
EP-1219603-A2 Tryptophan analogs in proteins, peptides and peptidic structures Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2002-07-03 EP disclosed