Beta-Alanine

Beta-Alanine

SCHEMBL3208609

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

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.38
HDAC11 Q96DB2 6/20 0.37
TSHR P16473 5/20 0.37
KMT2A Q03164 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GABRR1 P24046 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 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

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
SCHEMBL3188929 0.85
Beta-Alanine SCHEMBL3199628 0.80 LMNA (0.39) ECE1HDAC11TSHRKMT2AHDAC3
SCHEMBL201140 0.79
SCHEMBL8007080 0.78 GPR84 (0.55) HDAC11TSHRKMT2ACYP1A2ALDH1A1
Adipic Acid SCHEMBL28129525 0.78 NFKB1 (0.56) HDAC11TSHRKMT2AHDAC3HDAC1
Acrylic Acid SCHEMBL1399452 0.77 LMNA (0.39) ECE1TSHRKMT2ALMNACYP1A2
Methacrylic Acid SCHEMBL1399467 0.77 TDP1 (0.36) ECE1KMT2AMEN1ALOX15TDP1
Beta-Alanine SCHEMBL7753220 0.77 LMNA (0.48) ECE1HDAC11TSHRKMT2AHDAC3
Hydrochloric Acid SCHEMBL6778693 0.77
Beta-Alanine SCHEMBL3203420 0.77 HTT (0.34) HDAC11TSHRKMT2AHDAC3HDAC1

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 ECE1 1971/4885HDAC11 2788/4885TSHR 4713/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ECE1 1290/4885HDAC11 3364/4885TSHR 4711/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ECE1 1926/4885HDAC11 2847/4885TSHR 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.