Trimethylammonium

Trimethylammonium

SCHEMBL4404158

CN(C)C.COS(=O)(=O)Oc1cccc(OC(=O)N(C)C)c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.56
BCHE P06276 8/20 0.56
LMNA P02545 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 1/20 0.47
GLA P06280 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NCEH1 Q6PIU2 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
Trimethylammonium SCHEMBL4404153 0.78 ACHE (0.55) ACHEBCHELMNAMEN1KMT2A
Trimethylammonium SCHEMBL11599930 0.73 NCEH1 (0.66) ACHEBCHELMNAMEN1KMT2A
M-Tolyl Dimethylcarbamate SCHEMBL8926857 0.73 LMNA (0.65) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL41903 0.72 ACHE (1.00) ACHEBCHELMNAMEN1KMT2A
Dimethylcarbate SCHEMBL7633232 0.72 ACHE (0.62) ACHEBCHELMNAMEN1KMT2A
Trimethylammonium SCHEMBL27613501 0.72 CA1 (0.47) LMNAMEN1KMT2ARAB9A
SCHEMBL8926853 0.71 ACHE (0.61) ACHEBCHELMNAMEN1KMT2A
SCHEMBL2331290 0.71 ACHE (0.61) ACHEBCHELMNAMEN1KMT2A
SCHEMBL1446527 0.71 ACHE (0.61) ACHEBCHELMNAMEN1KMT2A
SCHEMBL31522632 0.71 ACHE (0.61) ACHEBCHELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230202-A1 BOWEL CARE USING IONTOPHORESIS The United States Government Represented by the Department of Veterans Affairs (US) 2023-08-23 EP disclosed
EP-3413888-B1 BOWEL CARE USING IONTOPHORESIS US GOV VETERANS AFFAIRS (US) 2023-05-10 EP disclosed
US-20190029989-A1 BOWEL CARE USING IONTOPHORESIS UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2019-01-31 US disclosed
EP-3413888-A2 BOWEL CARE USING IONTOPHORESIS United States Government as Represented by The Department of Veterans Affairs (US) 2018-12-19 EP disclosed
WO-2017139794-A2 BOWEL CARE USING IONTOPHORESIS UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2017-08-17 WO disclosed
US-7635709-B2 Synergistic mixture of acetylcholinesterase inhibitor and anticholinergic agent; side effect reduction THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2009-12-22 US disclosed
US-20040082644-A1 Compositions and methods for bowel care in individuals with chronic intestinal pseudo-obstruction THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DBA, THE DEPARTMENT OF VETERANS AFFAIRS 2004-04-29 US disclosed