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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL874043 | 0.91 | CA1 (0.56) | CA1CA2CA9FFAR3ACHE | |
| Trimethylammonium SCHEMBL28443711 | 0.91 | CA1 (0.56) | CA1CA2CA9FFAR3ACHE | |
| Trimethylammonium SCHEMBL874044 | 0.91 | — | — | |
| Trimethylammonium SCHEMBL4398765 | 0.86 | CA1 (0.50) | CA1CA2CA9FFAR3LCK | |
| Trimethylammonium SCHEMBL28125697 | 0.86 | — | — | |
| Trimethylammonium SCHEMBL28100436 | 0.86 | — | — | |
| Bicarbonate SCHEMBL5875137 | 0.85 | — | — | |
| Bicarbonate SCHEMBL3972451 | 0.85 | CA1 (0.62) | CA1CA2CA9FFAR3ACHE | |
| Bicarbonate SCHEMBL559423 | 0.85 | — | — | |
| Trimethylammonium SCHEMBL9456635 | 0.82 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101717339-A | Double quaternary ammonium base compound and preparation method as well as application thereof | JIANGSU YANGNONG CHEMICAL GROU | 2010-06-02 | — | — | CN | disclosed |