Beta-Alanine

Beta-Alanine

SCHEMBL3208931

C=CCNCC(N)=O.NCCC(=O)O

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.37
ABCC4 O15439 1/20 0.37
TSHR P16473 5/20 0.34
BLM P54132 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34

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
SCHEMBL1796671 0.84
Beta-Alanine SCHEMBL3203420 0.84 HTT (0.34) KDM4EMAPTABCC4TSHRBLM
Hydrochloric Acid SCHEMBL6029772 0.82
SCHEMBL2524052 0.82
Bromide SCHEMBL11569992 0.82
Glycine SCHEMBL5985162 0.79 GLRA1 (0.43) KDM4EMAPTABCC4TSHRBLM
SCHEMBL3946913 0.78 MAPT (0.44) KDM4EMAPTABCC4TSHRBLM
SCHEMBL29438 0.78
Beta-Alanine SCHEMBL3205593 0.78 TSHR (0.44) KDM4EMAPTABCC4TSHRBLM
SCHEMBL10869584 0.76

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
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP 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 (2 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MAOA 1225/4885MAOB 1594/4885KDM4E 4157/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MAOA 986/4885MAOB 1392/4885KDM4E 4258/4885

“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.