Alanine

Alanine

SCHEMBL28115213

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

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
SLC7A5 Q01650 2/20 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
Isopropylamine SCHEMBL5088771 0.87 CA2 (0.46) TP53CA1CA2GABRPGABRD
SCHEMBL26929037 0.85 CA1 (0.44) TP53CA1CA2GABRPGABRD
Leucine SCHEMBL28734780 0.83 SLC7A5 (0.62) SLC7A5PMP22SLC1A3SLC1A2SLC1A1
SCHEMBL29454989 0.83 TP53 (0.47) TP53CA1CA2GABRPGABRD
Alanine SCHEMBL8200266 0.80 SLC7A5 (0.42) TP53GABRPGABRDGABRA1GABRB1
Acetic Acid SCHEMBL15211036 0.80 CA2 (0.42) CA1CA2
Methylamine SCHEMBL30182758 0.79
Hydrazine SCHEMBL11314390 0.79
SCHEMBL7214 0.79
Glycine SCHEMBL28622055 0.78 GLRA1 (0.46) CA1CA2

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-114453022-A Acid catalyst for reducing acid value of high-acid-value oil, preparation method, recovery method and application thereof 大连医诺生物股份有限公司 2022-05-10 CN claimed
CN-106244654-A A kind of enzyme transforming process prepares the method for L alanyl L alanine 精晶药业股份有限公司 2016-12-21 CN claimed
CN-114453022-A Acid catalyst for reducing acid value of high-acid-value oil, preparation method, recovery method and application thereof 大连医诺生物股份有限公司 2022-05-10 CN disclosed