Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tetrabuthylammonium. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 3/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | CA2 | P00918 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.48 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 SCHEMBL29607271 | 0.86 | NFKB1 (0.65) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Tetrabuthylammonium SCHEMBL21833978 | 0.86 | CA2 (0.59) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Tetrabuthylammonium SCHEMBL1070477 | 0.85 | CA2 (0.75) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Tetrabuthylammonium SCHEMBL106481 | 0.84 | CA1 (0.48) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL3417043 | 0.83 | CA2 (0.77) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Potassium Ion SCHEMBL29238656 | 0.83 | CA2 (0.77) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL1046801 | 0.83 | CA2 (0.77) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL11809705 | 0.83 | CA2 (0.77) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Silver SCHEMBL28695615 | 0.83 | CA2 (0.77) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL1537500 | 0.83 | CA2 (0.77) | CYP3A4TSHRNFKB1NPSR1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2023060486-A | COOL STORAGE MATERIAL AND COOL STORAGE METHOD | パナソニックホールディングス株式会社 | 2023-04-28 | — | — | JP | disclosed |