Trimethylammonium

Trimethylammonium

SCHEMBL7549798

CN(C)C.Cc1cc(-c2cc(C)c(N)c(S(=O)(=O)O)c2)ccc1N

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
TSHR P16473 4/20 0.50
TP53 P04637 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
THRB P10828 4/20 0.43
HPGD P15428 4/20 0.43
RECQL P46063 4/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 3/20 0.43
MAPK1 P28482 3/20 0.43
BLM P54132 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
BRCA1 P38398 2/20 0.43
APP P05067 2/20 0.43
SNCA P37840 2/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4699746 0.95 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRTP53
Ammonia Solution, Strong SCHEMBL7553589 0.94 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL7550078 0.89 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL7555687 0.85 CYP3A4 (0.41) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL4698065 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL7554798 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1TSHRTP53
Orthotolidine SCHEMBL8642304 0.79 CYP3A4 (0.74) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL1270034 0.75 CYP3A4 (0.81) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL2802991 0.74 KMT2A (0.50) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL4651598 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRTP53

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-0747418-B1 Aromatic polyimide and gas separation UBE INDUSTRIES (JP) 2002-07-03 EP disclosed
US-5744575-A Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
EP-0747418-A1 Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1996-12-11 EP disclosed