Trimethylammonium

Trimethylammonium

SCHEMBL2033085

CCCCCCCCCCCCCCCCOC(Cl)CC.CN(C)C

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.44
SPHK1 Q9NYA1 1/20 0.37
LPAR1 Q92633 4/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 1/20 0.34
THRB P10828 2/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL1797831 1.00 DNM1 (0.44) DNM1SPHK1LPAR1LPAR3LPAR2
Trimethylammonium SCHEMBL10884276 1.00 DNM1 (0.44) DNM1SPHK1LPAR1LPAR3LPAR2
SCHEMBL28213352 0.91 DNM1 (0.45) DNM1LPAR1LPAR3LPAR2THRB
SCHEMBL8113079 0.84
SCHEMBL27478603 0.78 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2THRB
SCHEMBL9865981 0.78 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2THRB
SCHEMBL9339607 0.78 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2THRB
SCHEMBL28222439 0.77 USP2 (0.47) DNM1LPAR1LPAR3LPAR2THRB
Trimethylammonium SCHEMBL29030815 0.76 DNM1 (0.41) DNM1SPHK1LPAR1LPAR3LPAR2
SCHEMBL27479414 0.76 DNM1 (0.43) DNM1LPAR1LPAR3LPAR2THRB

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
US-20130112217-A1 CONDITIONING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2013-05-09 US disclosed
EP-2512421-A2 CONDITIONING COMPOSITION FOR HAIR Kao Germany GmbH (DE) 2012-10-24 EP disclosed
WO-2011072853-A2 CONDITIONING COMPOSITION FOR HAIR KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2011-06-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130112217-A1 CONDITIONING COMPOSITION FOR HAIR AR, H1-4, H1-10 DNM1 4579/4885SPHK1 3385/4885LPAR1 335/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.