Known targets — ChEMBL curated mechanism
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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL27532388 | 0.97 | CA2 (0.39) | CA2TSHRUSP2CA1TDP1 | |
| Trimethylammonium SCHEMBL140641 | 0.94 | CA2 (0.41) | CA2TSHRUSP2CA1TDP1 | |
| Trimethylammonium SCHEMBL10696615 | 0.94 | CA2 (0.41) | CA2TSHRUSP2CA1TDP1 | |
| Trimethylammonium SCHEMBL2479927 | 0.90 | CA2 (0.39) | CA2TSHRUSP2CA1TDP1 | |
| Trimethylammonium SCHEMBL27625318 | 0.90 | CA2 (0.39) | CA2TSHRUSP2CA1TDP1 | |
| Trimethylammonium SCHEMBL29057130 | 0.90 | CA2 (0.39) | CA2TSHRUSP2CA1TDP1 | |
| Trimethylammonium SCHEMBL27354487 | 0.90 | CA2 (0.39) | CA2TSHRUSP2CA1TDP1 | |
| Trimethylammonium SCHEMBL28798004 | 0.88 | CA2 (0.37) | CA2TSHRUSP2CA1TDP1 | |
| Trimethylammonium SCHEMBL27534299 | 0.88 | CA2 (0.37) | CA2TSHRUSP2CA1TDP1 | |
| Water SCHEMBL3365863 | 0.87 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101250163-B | Process for producing epoxytriazole compound and intermediate therefor | SUMITOMO CHEMICAL CO | 2011-02-23 | — | — | CN | disclosed |
| CN-100491319-C | Process for producing epoxytriazole compound and intermediate therefor | SUMITOMO CHEMICAL CO (JP) | 2009-05-27 | — | — | CN | disclosed |
| CN-101250163-A | Process for producing epoxytriazole compound and intermediate therefor | SUMITOMO CHEMICAL CO (JP) | 2008-08-27 | — | — | CN | disclosed |
| CN-1906146-A | Process for producing epoxytriazole compound and intermediate therefor | SUMITOMO CHEMICAL CO (JP) | 2007-01-31 | — | — | CN | disclosed |