Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tributylmethylammonium. 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 | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | CA2 | P00918 | 6/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tributylmethylammonium SCHEMBL29606232 | 0.96 | CYP3A4 (0.61) | NFKB1CYP3A4TSHRNPSR1CA2 | |
| Tetrabuthylammonium SCHEMBL25181752 | 0.86 | CYP3A4 (0.68) | NFKB1CYP3A4TSHRNPSR1CA2 | |
| Tributylmethylammonium SCHEMBL25274914 | 0.85 | CA2 (0.72) | NFKB1CYP3A4TSHRNPSR1CA2 | |
| Tributylmethylammonium SCHEMBL5570530 | 0.82 | CA1 (0.47) | NFKB1CYP3A4TSHRNPSR1CA2 | |
| Tributylmethylammonium SCHEMBL4357063 | 0.81 | BBOX1 (0.52) | CA1BBOX1HDAC1HDAC2HDAC8 | |
| Tetramethylammonium Ion SCHEMBL25233985 | 0.81 | CA2 (0.75) | NFKB1CYP3A4TSHRNPSR1CA2 | |
| Tributylmethylammonium SCHEMBL5570483 | 0.80 | CA1 (0.45) | NFKB1CYP3A4TSHRNPSR1CA2 | |
| SCHEMBL2732607 | 0.79 | CYP3A4 (0.77) | NFKB1CYP3A4TSHRNPSR1CA2 | |
| Lithium Ion SCHEMBL2731635 | 0.79 | CYP3A4 (0.77) | NFKB1CYP3A4TSHRNPSR1CA2 | |
| SCHEMBL15129440 | 0.79 | CYP3A4 (0.77) | NFKB1CYP3A4TSHRNPSR1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022111026-A1 | USE OF CARBOXYLATE COMPOUND AS ABSORBENT FOR CAPTURING CARBON DIOXIDE | 北京驭碳科技有限公司 | 2022-06-02 | — | — | WO | disclosed |