Trimethylammonium

Trimethylammonium

SCHEMBL5961784

C=CC(=O)NCCC.CN(C)C.CN(C)C.COS(=O)(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of Trimethylammonium. 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
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGM2 P21980 6/20 0.34
EPHX1 P07099 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
GAA P10253 2/20 0.32
HTR1A P08908 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
PELI1 Q96FA3 2/20 0.32

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
Trimethylammonium SCHEMBL3681199 1.00 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL15846309 0.95 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Methylamine SCHEMBL8020846 0.92 ZDHHC20 (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL1232298 0.91 ZDHHC20 (0.63) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL27979802 0.91 ZDHHC20 (0.63) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL3679047 0.87 ZDHHC20 (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL21701 0.86 ZDHHC20 (0.62) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Sulfuric Acid SCHEMBL7864545 0.84 ZDHHC20 (0.66) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL269883 0.84 ZDHHC20 (0.60) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL2124087 0.84 ZDHHC20 (0.60) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984336-B2 Clothes treatment for dry wrinkle resistance THE PROCTER & GAMBLE COMPANY (US) 2006-01-10 US disclosed
US-20050015888-A1 Wrinkle resistant composition THE PROCTER & GAMBLE COMPANY 2005-01-27 US disclosed
US-20050015887-A1 Clothes treatment for dry wrinkle resistance ALTMANN MARKUS WILHELM (BE) 2005-01-27 US disclosed
US-6723253-B2 TO PRODUCE DRY WRINKLE RESISTANCE IN FABRICS THE PROCTER & GAMBLE COMPANY 2004-04-20 US disclosed
US-20020130295-A1 Domestic treatment of fabrics with film-formin materials and blowing agents THE PROCTER & GAMBLE COMPANY 2002-09-19 US disclosed
US-20020132748-A1 Clothes treatment for dry wrinkle resistance PROCTER & GAMBLE COMPANY, THE 2002-09-19 US disclosed
EP-1238137-A2 WRINKLE RESISTANT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2002-09-11 EP disclosed
WO-2002068751-A2 CLOTHES TREATMENT FOR DRY WRINKLE RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-09-06 WO disclosed
WO-2002044461-A1 DOMESTIC TREATMENT OF FABRICS WITH FILM-FORMING MATERIALS AND BLOWING AGENTS THE PROCTER & GAMBLE COMPANY (US) 2002-06-06 WO disclosed
EP-1201814-A1 Domestic treatment of fabrics with film-forming materials and blowing agents THE PROCTER & GAMBLE COMPANY (US) 2002-05-02 EP disclosed
EP-1201816-A1 Clothes treatment for dry wrinkle resistance The Procter & Gamble Company (US) 2002-05-02 EP disclosed
WO-2001031112-A2 WRINKLE RESISTANT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2001-05-03 WO disclosed