Beta-Alanine

Beta-Alanine

SCHEMBL3198735

CNCC(N)=O.NCCC(=O)O

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRE P78334 3/20 0.41
GABRA6 Q16445 3/20 0.41
GABRG1 Q8N1C3 3/20 0.41
GABRG3 Q99928 3/20 0.41
GABRQ Q9UN88 3/20 0.41
THRB P10828 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 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
Sarcosine SCHEMBL20642060 0.86 LMNA (0.44) LMNAGABRPGABRDGABRA1GABRB1
Beta-Alanine SCHEMBL3199628 0.81 LMNA (0.39) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL30629 0.81
Acetic Acid SCHEMBL16792627 0.79 FFAR3 (0.39) LMNABLMCYP1A2ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL1126168 0.78
Hydrochloric Acid SCHEMBL29396897 0.78
Bromide SCHEMBL11867173 0.78
Beta-Alanine SCHEMBL1892332 0.77 LMNA (0.44) LMNAGABRPGABRDGABRA1GABRB1
Sarcosine SCHEMBL9470529 0.76 GABRP (0.41) LMNAGABRPGABRDGABRA1GABRB1
Alanine SCHEMBL9470521 0.76 GABRP (0.41) LMNAGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
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
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 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 (3 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 LMNA 133/4885GABRP 2599/4885GABRD 1008/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 LMNA 277/4885GABRP 3986/4885GABRD 4071/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 LMNA 105/4885GABRP 2389/4885GABRD 941/4885

“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.