Glycinebetaine

Glycinebetaine

SCHEMBL665485

C[N+](C)(C)CC(=O)[O-].OCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

The experimentally established mechanism targets of Glycinebetaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
APEX1 P27695 1/20 0.43
SLC22A16 Q86VW1 1/20 0.41
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
BBOX1 O75936 6/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
CRAT P43155 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
Glycinebetaine SCHEMBL8678519 0.91 TSHR (0.53) TSHRLMNAALDH1A1APEX1SLC22A16
Betaine SCHEMBL31467313 0.91
Glycinebetaine SCHEMBL2803780 0.91 TSHR (0.53) TSHRLMNAALDH1A1APEX1SLC22A16
Glycinebetaine SCHEMBL4900209 0.91
Glycinebetaine SCHEMBL7739 0.91
Glycinebetaine SCHEMBL9785894 0.89 TSHR (0.46) TSHRLMNAALDH1A1APEX1SLC22A16
Glycinebetaine SCHEMBL8725957 0.88
Glycinebetaine SCHEMBL8388807 0.88
Glycinebetaine SCHEMBL20703289 0.88
Glycinebetaine SCHEMBL4255367 0.88

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054664-A1 METABOLIC SUPPLEMENT FORMULATION AND METHODS OF USE FOR TREATING DEPRESSION AND ANXIETY HAWKINS GERMAINE BERNARD (US) 2020-02-20 US disclosed
EP-2516018-B1 AQUEOUS ANTIPERSPIRANT/DEODORANT COMPOSITION COLGATE PALMOLIVE CO (US) 2018-04-25 EP disclosed
EP-2516016-B1 ANHYDROUS LIQUID ANTIPERSPIRANT/DEODORANT COMPOSITION COLGATE PALMOLIVE CO (US) 2018-04-11 EP disclosed
EP-2516017-B1 METHOD OF MAKING AN ANHYDROUS LIQUID ANTIPERSPIRANT COMPOSITION COLGATE PALMOLIVE CO (US) 2018-02-21 EP disclosed
US-9585825-B2 Method of making an anhydrous liquid antiperspirant composition COLGATE-PALMOLIVE COMPANY (US) 2017-03-07 US disclosed
US-20140314701-A1 ANHYDROUS LIQUID ANTIPERSPIRANT COMPOSITION COLGATE PALMOLIVE CO (US) 2014-10-23 US disclosed
US-8815222-B2 Anhydrous liquid antiperspirant composition Colgate—Palmolive Company (US) 2014-08-26 US disclosed
EP-1853222-B1 ENHANCED EFFICACY ALUMINUM OR ALUMINUM-ZIRCONIUM ANTIPERSPIRANT SALT COMPOSITIONS CONTAINING CALCIUM SALT(S) AND BETAINE COLGATE PALMOLIVE CO (US) 2014-05-28 EP disclosed
US-20140127151-A1 METHOD OF MAKING AN ANHYDROUS LIQUID ANTIPERSPIRANT COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2014-05-08 US disclosed
US-8663610-B2 Method of making an anhydrous liquid antiperspirant composition COLGATE-PALMOLIVE COMPANY (US) 2014-03-04 US disclosed
WO-2008097716-A2 ANTIPERSPIRANT/DEODORANT COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2008-08-14 WO disclosed
US-20080187503-A1 Antiperspirant/Deodorant Composition COLGATE-PALMOLIVE COMPANY 2008-08-07 US disclosed
WO-2008017839-A1 POLYMERIC MICELLAR CLUSTERS AND THEIR USES IN FORMULATING DRUGS THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2008-02-14 WO disclosed
EP-1853222-A1 ENHANCED EFFICACY ALUMINUM OR ALUMINUM-ZIRCONIUM ANTIPERSPIRANT SALT COMPOSITIONS CONTAINING CALCIUM SALT(S) AND BETAINE Colgate-Palmolive Company (US) 2007-11-14 EP disclosed
US-20070196308-A1 Antiperspirant clear gel with low glycol content COLGATE-PALMOLIVE COMPANY 2007-08-23 US disclosed
US-20060204463-A1 Enhanced efficacy aluminum or aluminum-zirconium antiperspirant salt compositions containing calcium salt(s) and betaine COLGATE-PALMOLIVE COMPANY 2006-09-14 US disclosed
WO-2006091417-A1 ENHANCED EFFICACY ALUMINUM OR ALUMINUM-ZIRCONIUM ANTIPERSPIRANT SALT COMPOSITIONS CONTAINING CALCIUM SALT(S) AND BETAINE COLGATE-PALMOLIVE COMPANY (US) 2006-08-31 WO disclosed
EP-1663136-A2 ANTIPERSPIRANT CLEAR GEL WITH LOW GLYCOL CONTENT Colgate-Palmolive Company (US) 2006-06-07 EP disclosed
WO-2005025523-A2 ANTIPERSPIRANT CLEAR GEL WITH LOW GLYCOL CONTENT COLGATE-PALMOLIVE COMPANY (US) 2005-03-24 WO disclosed
US-6049428-A COATING A SUBSTRATE WITH A SOLUTION OF AN ORGANIC DYE OCCURRING IN THE LYOTROPIC LIQUID-CRYSTAL STATE IN A SOLVENT WHILE SIMULTANEOUSLY ORIENTING THE DYE AND REMOVING THE SOLVENT OPTIVA, INC. (US) 2000-04-11 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 (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-20080187503-A1 Antiperspirant/Deodorant Composition DRD4, DDT, OPRD1 TSHR 2947/4885LMNA 4020/4885ALDH1A1 504/4885
US-20070196308-A1 Antiperspirant clear gel with low glycol content DEGS1, CENPE, GCN1 TSHR 4238/4885LMNA 3239/4885ALDH1A1 4553/4885
US-20060204463-A1 Enhanced efficacy aluminum or aluminum-zirconium antiperspirant salt compositions containing calcium salt(s) and betaine SLC6A12, LBR, KCNN1 TSHR 3916/4885LMNA 2849/4885ALDH1A1 4112/4885

“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.