Beta-Alanine

Beta-Alanine

SCHEMBL1246610

CNc1ccc(C=Cc2ccnc3ccccc23)cc1.NCCC(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 2/20 0.60
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 4/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
CYP1A2 P05177 3/20 0.49
HSD17B10 Q99714 2/20 0.49
NQO2 P16083 1/20 0.49
MAPK1 P28482 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41

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 SCHEMBL28052216 0.86 MAPT (0.59) ATG4BALDH1A1MAPTMEN1KMT2A
D-Alanine SCHEMBL1246484 0.86 ALDH1A1 (0.55) ATG4BALDH1A1MAPTMEN1KMT2A
Alanine SCHEMBL1246935 0.86 ALDH1A1 (0.55) ATG4BALDH1A1MAPTMEN1KMT2A
SCHEMBL1245851 0.83 ALDH1A1 (0.57) ATG4BALDH1A1MAPTMEN1KMT2A
SCHEMBL1245838 0.80 ALDH1A1 (0.59) ATG4BALDH1A1MAPTMEN1KMT2A
SCHEMBL1244759 0.79 ATG4B (0.56) ATG4BALDH1A1MAPTMEN1KMT2A
Dimethylamine SCHEMBL11575501 0.77 MAPT (0.68) ATG4BALDH1A1MAPTMEN1KMT2A
SCHEMBL1246900 0.76 ALDH1A1 (0.56) ATG4BALDH1A1MAPTMEN1KMT2A
SCHEMBL8854388 0.75 MEN1 (0.69) ATG4BALDH1A1MAPTMEN1KMT2A
SCHEMBL9583182 0.75 MEN1 (0.69) ATG4BALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459734-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP disclosed
US-8592174-B2 Peptidase substrates bioMérieux, S.A. (FR) 2013-11-26 US disclosed
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 US disclosed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122135-A1 Novel Peptidase Substrates CPN1, CTRL, ANPEP ATG4B 1001/4885ALDH1A1 2722/4885MAPT 4874/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.