Glycinebetaine

Glycinebetaine

SCHEMBL4711802

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

nearest known ligand 0.32

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 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
BBOX1 O75936 1/20 0.30

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
SCHEMBL1445125 0.82 TSHR (0.33) TSHRALDH1A1
SCHEMBL2354544 0.82 TSHR (0.33) TSHRALDH1A1
Glycinebetaine SCHEMBL665485 0.72 TSHR (0.46) TSHRALDH1A1LMNAAPEX1BBOX1
SCHEMBL27458704 0.71 CYP4F2 (0.36) TSHRALDH1A1
Glycinebetaine SCHEMBL22499790 0.71 TSHR (0.42) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL21647161 0.71 TSHR (0.42) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL7753166 0.70 TSHR (0.46) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL1959136 0.70 BBOX1 (0.35) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL9281697 0.70 TSHR (0.55) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL486141 0.70 MAPT (0.50) TSHRALDH1A1LMNAAPEX1BBOX1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643827-A4 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF BETAINE LIPIDS UNIV MICHIGAN STATE (US) 2008-02-27 EP disclosed
US-7169597-B2 Compositions and methods for the production of betaine lipids MICHIGAN STATE UNIVERSITY (US) 2007-01-30 US disclosed
EP-1643827-A2 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF BETAINE LIPIDS MICHIGAN STATE UNIVERSITY (US) 2006-04-12 EP disclosed
EP-1399012-A4 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF BETAINE LIPIDS UNIV MICHIGAN STATE (US) 2006-01-25 EP disclosed
WO-2005009115-A2 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF BETAINE LIPIDS MICHIGAN STATE UNIVERSITY (US) 2005-02-03 WO disclosed
EP-1399012-A2 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF BETAINE LIPIDS MICHIGAN STATE UNIVERSITY (US) 2004-03-24 EP disclosed
US-20030074688-A1 Compositions and methods for the production of betaine lipids MICHIGAN STATE UNIVERSITY 2003-04-17 US disclosed
WO-2002083844-A2 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF BETAINE LIPIDS MICHIGAN STATE UNIVERSITY (US) 2002-10-24 WO disclosed