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Sugi Predict / Compounds / Trimethylammonium

Trimethylammonium

Trimethylammonium

SCHEMBL10696615

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nearest known ligand 0.41

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 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CA1 P00915 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ CA5A P35218 1/20 0.33
▸ CA5B Q9Y2D0 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 SCHEMBL140641 1.00 CA2 (0.41) CA2TSHRUSP2CA1TDP1
Trimethylammonium SCHEMBL27625318 0.97 CA2 (0.39) CA2TSHRUSP2CA1TDP1
Trimethylammonium SCHEMBL2479927 0.97 CA2 (0.39) CA2TSHRUSP2CA1TDP1
Trimethylammonium SCHEMBL29057130 0.97 CA2 (0.39) CA2TSHRUSP2CA1TDP1
Trimethylammonium SCHEMBL27532388 0.97 CA2 (0.39) CA2TSHRUSP2CA1TDP1
Trimethylammonium SCHEMBL27354487 0.97 CA2 (0.39) CA2TSHRUSP2CA1TDP1
Trimethylammonium SCHEMBL28798004 0.94 CA2 (0.37) CA2TSHRUSP2CA1TDP1
Trimethylammonium SCHEMBL27534299 0.94 CA2 (0.37) CA2TSHRUSP2CA1TDP1
Trimethylammonium SCHEMBL27679337 0.94 CA2 (0.37) CA2TSHRUSP2CA1TDP1
SCHEMBL27750496 0.93 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775526-A 3-benzylidene benzheterazoles in ultraviolet screening compositions L'OREAL (FR) 1988-10-04 — — US disclosed