Betaine

Betaine

SCHEMBL513480

C=C(C)C(=O)OCC[N+](C)(C)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

The experimentally established mechanism targets of Betaine. 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
APEX1 P27695 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
Betaine SCHEMBL14857276 0.99 APEX1 (0.37) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5170046 0.96 APEX1 (0.37) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5171000 0.95 TSHR (0.39) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5171576 0.94 TSHR (0.41) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5166598 0.93 TSHR (0.43) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5167813 0.93 TSHR (0.43) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5168052 0.93 TSHR (0.43) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5168602 0.93 TSHR (0.43) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5168150 0.92 APEX1 (0.40) APEX1ALDH1A1LMNATSHRTHRB
Betaine SCHEMBL5171074 0.91 TSHR (0.38) APEX1ALDH1A1LMNATSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544812-B1 IMPROVED MICROCAPSULES AND PRODUCTION THEREOF FOLLMANN GMBH & CO KG (DE) 2018-10-24 EP claimed
EP-1902077-B2 NEUTRALISED CATIONIC POLYMER, COMPOSITION CONTAINING SAID POLYMER AND A COSMETIC TREATMENT METHOD OREAL (FR) 2018-07-18 EP claimed
US-10004923-B2 Neutralised cationic polymer, composition containing said polymer and a cosmetic treatment method L'OREAL (FR) 2018-06-26 US claimed
US-20160177002-A1 HYDROGEL FIBERS AND PREPARATION THEREOF INTELLISIV LTD. (IL) 2016-06-23 US claimed
EP-3027233-A1 HYDROGEL FIBERS AND PREPARATION THEREOF Intellisiv Ltd (IL) 2016-06-08 EP claimed
US-9359461-B2 Ethylene copolymers, compositions comprising same and preparation and treatment methods L'OREAL (FR) 2016-06-07 US claimed
EP-2705062-B1 SHEAR STABLE POLYMERS, THEIR PREPARATION AND THEIR USE AS THICKENER RHODIA OPERATIONS (FR) 2016-03-23 EP claimed
WO-2015015500-A1 HYDROGEL FIBERS AND PREPARATION THEREOF INTELLISIV LTD. (IL) 2015-02-05 WO claimed
EP-1765893-B1 NOVEL ETHYLENE COPOLYMERS, COMPOSITIONS COMPRISING SAME AND PREPARATION AND TREATMENT METHODS OREAL (FR) 2012-08-22 EP claimed
EP-2124869-B1 POLYMER PARTICLE DISPERSION, COMPOSITION CONTAINING THE SAME AND COSMETIC TREATMENT METHOD OREAL (FR) 2012-08-15 EP claimed
EP-1732964-A2 SEQUENCED COPOLYMER Arkema France (FR) 2006-12-20 EP claimed
WO-2006013269-A2 NOVEL ETHYLENE COPOLYMERS, COMPOSITIONS COMPRISING SAME AND PREPARATION AND TREATMENT METHODS L'OREAL (FR) 2006-02-09 WO claimed
WO-2006013270-A2 COSMETIC COMPOSITIONS CONTAINING AT LEAST ONE SURFACTANT AND AT LEAST ONE ETHYLENE COPOLYMER WITH POLYETHYLENE GLYCOL GRAFTS L'ORÉAL (FR) 2006-02-09 WO claimed
US-20060003654-A1 Dispersible alcohol/cleaning wipes via topical or wet-end application of acrylamide or vinylamide/amine polymers KIMBERLY-CLARK WORLDWIDE, INC. 2006-01-05 US claimed
EP-1439962-B1 INK JET RECORDING MEDIUM CIBA SC HOLDING AG (CH) 2005-11-16 EP claimed
WO-2005103102-A2 SEQUENCED COPOLYMER ARKEMA FRANCE (FR) 2005-11-03 WO claimed
US-6533415-B2 Ocular lens material having hydrophilic surface and process for preparing the same MENICON CO., LTD. (JP) 2003-03-18 US claimed
US-20010050749-A1 Ocular lens material having hydrophilic surface and process for preparing the same MENICON CO., LTD. (JP) 2001-12-13 US claimed
EP-1136521-A2 Ocular lens material having hydrophilic surface and process for preparing the same Menicon Co., Ltd. (JP) 2001-09-26 EP claimed
EP-0611781-B1 Ophthalmic lens polymer incorporating acyclic monomer JOHNSON & JOHNSON VISION PROD (US) 1998-06-10 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10004923-B2 Neutralised cationic polymer, composition containing said polymer and a cosmetic treatment method KRT18, EYA3, EYA2 APEX1 1342/4885ALDH1A1 3858/4885LMNA 2637/4885

“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.