Beta-Alanine

Beta-Alanine

SCHEMBL3203420

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

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
KMT2A Q03164 4/20 0.33
TSHR P16473 3/20 0.33
BLM P54132 3/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33
GABBR2 O75899 1/20 0.33
CYP1A2 P05177 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRR2 P28476 1/20 0.33
SLC6A1 P30531 1/20 0.33

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
SCHEMBL757712 0.87
Beta-Alanine SCHEMBL3208931 0.84 MAOA (0.39) KMT2ATSHRBLMLMNATHRB
SCHEMBL253528 0.81
SCHEMBL1961289 0.77 TSHR (0.43) HTTKMT2ATSHRLMNANPSR1
Adipic Acid SCHEMBL7106709 0.77 NFKB1 (0.52) KMT2ATSHRBLMLMNATHRB
Beta-Alanine SCHEMBL3205593 0.77 TSHR (0.44) KMT2ATSHRBLMLMNATHRB
Beta-Alanine SCHEMBL3208609 0.77 ECE1 (0.38) KMT2ATSHRBLMLMNATHRB
SCHEMBL4616389 0.74 MAPT (0.41) KMT2ATSHRLMNACYP1A2ALDH1A1
SCHEMBL614518 0.74 MAPT (0.48) KMT2ATSHRLMNAALDH1A1KDM4E
Beta-Alanine SCHEMBL7753220 0.72 LMNA (0.48) KMT2ATSHRBLMLMNATHRB

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 HTT 1249/4885KMT2A 4332/4885TSHR 4713/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 HTT 2894/4885KMT2A 4216/4885TSHR 4711/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HTT 1156/4885KMT2A 4416/4885TSHR 4731/4885

“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.