Beta-Alanine

Beta-Alanine

SCHEMBL28052216

NCCC(=O)O.Nc1ccc(C=Cc2ccnc3ccccc23)cc1

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
HPGD P15428 4/20 0.59
HTT P42858 2/20 0.59
CASP3 P42574 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
LMNA P02545 1/20 0.59
ATG4B Q9Y4P1 2/20 0.59
CYP1A2 P05177 3/20 0.50
HSD17B10 Q99714 2/20 0.50
NQO2 P16083 1/20 0.50
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 4/20 0.43

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
Beta-Alanine SCHEMBL1246610 0.86 ATG4B (0.60) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL1245924 0.86 MAPT (0.72) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL18349235 0.86 MAPT (0.72) MAPTALDH1A1MEN1KMT2AHPGD
Bromide SCHEMBL9624706 0.85 MAPT (0.70) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL1245851 0.80 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9582042 0.78 MEN1 (0.69) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9583182 0.78 MEN1 (0.69) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8854388 0.78 MEN1 (0.69) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL3174845 0.77 ALDH1A1 (0.76) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL3174841 0.77 ALDH1A1 (0.76) MAPTALDH1A1MEN1KMT2AHPGD

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-102482709-B New peptidase substrates BIOMERIEUX (FR) 2016-02-10 CN disclosed