Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | TP53 | P04637 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.75 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.73 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL15414094 | 0.97 | SLC22A1 (0.80) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL28087339 | 0.97 | SLC22A1 (0.80) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL28519848 | 0.96 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL1891 | 0.96 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL466 | 0.96 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL5144255 | 0.96 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL37661 | 0.96 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL19856400 | 0.96 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL226110 | 0.96 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL12611195 | 0.96 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 |
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-111978271-B | Hexythiazox hapten and preparation method thereof, hexythiazox antigen, antibody and application thereof | 重庆市农业科学院 | 2022-08-30 | — | — | CN | claimed |
| CN-111978271-A | Hexythiazox hapten and preparation method thereof, hexythiazox antigen, antibody and application thereof | 重庆市农业科学院 | 2020-11-24 | — | — | CN | claimed |
| CN-111978271-B | Hexythiazox hapten and preparation method thereof, hexythiazox antigen, antibody and application thereof | 重庆市农业科学院 | 2022-08-30 | — | — | CN | disclosed |
| CN-111978271-A | Hexythiazox hapten and preparation method thereof, hexythiazox antigen, antibody and application thereof | 重庆市农业科学院 | 2020-11-24 | — | — | CN | disclosed |