Beta-Alanine

Beta-Alanine

SCHEMBL3205593

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

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 3/20 0.37
FAAH O00519 1/20 0.37
BLM P54132 3/20 0.37
THRB P10828 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 1/20 0.37
GABBR2 O75899 1/20 0.37
CYP1A2 P05177 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL29510 0.83
Allylamine SCHEMBL21811621 0.81 ALDH1A1 (0.50) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL6393436 0.81
Methane SCHEMBL11394756 0.81
Formaldehyde SCHEMBL9400746 0.81
Nitrogen SCHEMBL27722759 0.79
Ethyne SCHEMBL28029265 0.79 ALDH1A1 (0.52) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
Beta-Alanine SCHEMBL3208931 0.78 MAOA (0.39) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
Dimethylamine SCHEMBL3468998 0.77 ALDH1A1 (0.50) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL26914634 0.77 ALDH1A1 (0.50) TSHRMAPTSMN1; SMN2ALDH1A1LMNA

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 TSHR 4713/4885MAPT 2499/4885SMN1; SMN2 24/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TSHR 4711/4885MAPT 2324/4885SMN1; SMN2 3451/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TSHR 4731/4885MAPT 2212/4885SMN1; SMN2 29/4885

“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.