Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 | 4/20 | 0.75 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.52 |
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 SCHEMBL27575970 | 0.94 | SLC22A1 (0.75) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL7536172 | 0.94 | SLC22A1 (0.75) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL28338553 | 0.94 | SLC22A1 (0.75) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL25266692 | 0.90 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL28480847 | 0.90 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL24883 | 0.90 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL987324 | 0.90 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL6373639 | 0.88 | SLC22A1 (0.75) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL5120191 | 0.87 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TSHRTP53 | |
| Tetrabuthylammonium SCHEMBL987325 | 0.87 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1255745-B1 | SYNTHESIS OF WATER SOLUBLE 9-DIHYDRO-PACLITAXEL DERIVATIVES FROM 9-DIHYDRO-13-ACETYLBACCATIN III | LIU JIAN (CA) | 2004-01-14 | — | — | EP | disclosed |
| EP-1255745-A2 | SYNTHESIS OF WATER SOLUBLE 9-DIHYDRO-PACLITAXEL DERIVATIVES FROM 9-DIHYDRO-13-ACETYLBACCATIN III | Liu, Jian (CA) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001055126-A2 | SYNTHESIS OF WATER SOLUBLE 9-DIHYDRO-PACLITAXEL DERIVATIVES FROM 9-DIHYDRO-13-ACETYLBACCATIN III | LIU JIAN (CA) | 2001-08-02 | — | — | WO | disclosed |
| US-6175023-B1 | PROTECTING THE C-7 HYDROXYL OF 9-DIHYDRO-13-ACETYLBACCATIN III WITH A PHENYL-SULFONYL PROTECTING GROUP, AND REPLACING THE PROTECTING GROUP WITH AN AMINE, OLIGOAMINE OR POLYAMINE TO FORM CORRESPONDING 7-AMINO DERIVATIVES; PRODRUGS | Liu, Jian (CA) | 2001-01-16 | — | — | US | disclosed |