Beta-Alanine

Beta-Alanine

SCHEMBL3197924

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

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
GABRA4 P48169 3/20 0.36
GABRE P78334 3/20 0.36
GABRA6 Q16445 3/20 0.36
GABRG1 Q8N1C3 3/20 0.36
GABRG3 Q99928 3/20 0.36
GABRQ Q9UN88 3/20 0.36
GABRR1 P24046 3/20 0.35
HDAC3 O15379 2/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 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
Beta-Alanine SCHEMBL3202385 0.86 PGR (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31171526 0.84
SCHEMBL15998469 0.84
SCHEMBL3195946 0.84
Hydrochloric Acid SCHEMBL15414419 0.82
Beta-Alanine SCHEMBL3195784 0.81 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
Beta-Alanine SCHEMBL3199411 0.80 TSHR (0.33) GABRPGABRDGABRA1GABRB1GABRG2
Methacrylic Acid SCHEMBL27551276 0.76 TDP1 (0.36) TSHR
Beta-Alanine SCHEMBL27717619 0.73 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2560090 0.71 ALDH1A1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2

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 2 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

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 GABRP 2599/4885GABRD 1008/4885GABRA1 1676/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GABRP 2389/4885GABRD 941/4885GABRA1 1620/4885

“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.