Alanine

Alanine

SCHEMBL27615995

CC(N)C(=O)O.CC(N)C(=O)O.c1ccccc1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.53
TP53 P04637 1/20 0.47
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SLC1A1 P43005 1/20 0.40
LTA4H P09960 1/20 0.39
GABRP O00591 4/20 0.39
GABRD O14764 4/20 0.39
GABRA1 P14867 4/20 0.39
GABRB1 P18505 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRB2 P47870 4/20 0.39
GABRA4 P48169 4/20 0.39
GABRE P78334 4/20 0.39
GABRA6 Q16445 4/20 0.39

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 SCHEMBL21616532 1.00 SLC7A5 (0.53) SLC7A5TP53SLC1A3SLC1A2TAAR1
Alanine SCHEMBL27894192 0.97 SLC7A5 (0.50) SLC7A5TP53SLC1A3SLC1A2TAAR1
Alanine SCHEMBL28176722 0.97 SLC7A5 (0.50) SLC7A5TP53SLC1A3SLC1A2TAAR1
Alanine SCHEMBL28207086 0.97 SLC7A5 (0.50) SLC7A5TP53SLC1A3SLC1A2TAAR1
Alanine SCHEMBL27330526 0.97 SLC7A5 (0.50) SLC7A5TP53SLC1A3SLC1A2TAAR1
Alanine SCHEMBL27383707 0.97 SLC7A5 (0.50) SLC7A5TP53SLC1A3SLC1A2TAAR1
Alanine SCHEMBL28327576 0.94 SLC7A5 (0.48) SLC7A5TP53SLC1A3SLC1A2TAAR1
Alanine SCHEMBL254290 0.93 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL2784274 0.93
Alanine SCHEMBL1332110 0.93

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
CN-1618801-A D-aminoacylase mutants DAICEL CHEM (JP) 2005-05-25 CN disclosed