Trimethylammonium

Trimethylammonium

SCHEMBL9329353

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS1 P23219 3/20 0.32
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 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
SCHEMBL4586469 0.82 PTGS2 (0.37) PTGS2RAB9AALDH1A1MEN1CYP2C9
SCHEMBL24496157 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHSD17B10ACHE
Trimethylammonium SCHEMBL28390914 0.74 FNTA (0.35) ALDH1A1ACHEKDM4ESMN1; SMN2TSHR
Trimethylammonium SCHEMBL28395649 0.74 LPAR3 (0.40) TSHRCA12CA1CA2CA9
SCHEMBL5413785 0.73 ALDH1A1 (0.40) ALDH1A1MEN1CYP2C19KMT2AHSD17B10
SCHEMBL8949910 0.73 THRB (0.41) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5528349 0.73 THRB (0.41) RAB9AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL141759 0.73 TSHR (0.55) ALDH1A1MEN1KMT2AHSD17B10KDM4E
Trimethylammonium SCHEMBL20239685 0.73 ALDH1A1 (0.33) ALDH1A1ACHEKDM4ESMN1; SMN2TSHR
SCHEMBL9497707 0.73 DNM1 (0.45) PTGS2MEN1KMT2APTGS1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350276-B1 Temporary wet strength resins with nitrogen heterocyclic nonnucleophilic functionalities and paper products containing same PROCTER & GAMBLE (US) 1994-04-06 EP disclosed
US-5138002-A Temporary wet strength resins with nitrogen heterocyclic nonnucleophilic functionalities and paper products containing same THE PROCTER & GAMBLE COMPANY (US) 1992-08-11 US disclosed
US-4981557-A Temporary wet strength resins with nitrogen heterocyclic nonnucleophilic functionalities and paper products containing same THE PROCTER & GAMBLE COMPANY (US) 1991-01-01 US disclosed