Glycinebetaine

Glycinebetaine

SCHEMBL4457941

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

nearest known ligand 0.50

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 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
APEX1 P27695 1/20 0.48
SLC22A16 Q86VW1 1/20 0.44
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
BBOX1 O75936 6/20 0.39
CA4 P22748 2/20 0.37
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
HRH1 P35367 1/20 0.35
KMT2A Q03164 1/20 0.35
CRAT P43155 1/20 0.35

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 SCHEMBL285287 1.00
Betaine SCHEMBL31467313 0.97
Glycinebetaine SCHEMBL8678519 0.97 TSHR (0.53) TSHRALDH1A1LMNAAPEX1SLC22A16
Glycinebetaine SCHEMBL2803780 0.97 TSHR (0.53) TSHRALDH1A1LMNAAPEX1SLC22A16
Glycinebetaine SCHEMBL4900209 0.97
Glycinebetaine SCHEMBL7739 0.97
Glycinebetaine SCHEMBL8388807 0.94
Glycinebetaine SCHEMBL11109389 0.94
Glycinebetaine SCHEMBL4255367 0.94
Glycinebetaine SCHEMBL20703289 0.94

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
EP-3156470-B1 SUBSTANCE FOR COLLECTING PETROLEUM OR PETROLEUM PRODUCTS FROM SURFACE OF WATER AND UTILIZATION METHOD THEREOF (VARIANTS) BIOMICROGELS UK LTD (GB) 2021-10-06 EP disclosed
US-10550301-B2 Substance for collecting petroleum or petroleum products from surface of water and utilization method thereof (variants) Obschestvo S Ogranichennoj Otvetsvennostyu “NPO Biomikrogeli” (RU) 2020-02-04 US disclosed
US-20170130110-A1 Substance for Collecting Petroleum or Petroleum Products from Surface of Water and Utilization Method Thereof (Variants) OBSCHESTVO S OGRANICHENNOJ OTVETSTVENNOSTYU "NPO BIOMIKROGELI" (RU) 2017-05-11 US disclosed
EP-3156470-A1 SUBSTANCE FOR COLLECTING PETROLEUM OR PETROLEUM PRODUCTS FROM SURFACE OF WATER AND UTILIZATION METHOD THEREOF (VARIANTS) Obschestvo S Ogranichennoj Otvetsvennostyu "Npo Biomikrogeli" (RU) 2017-04-19 EP disclosed
US-20090286881-A1 SELECTED BETAINES AND THEIR USES DELL MARKETING L.P. 2009-11-19 US disclosed
US-20060128657-A1 Selected betaines and their uses MESSADEK JALLAL 2006-06-15 US disclosed