Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of 3-Methylbutanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 3/20 | 0.39 |
| ▸ | LAP3 | P28838 | 2/20 | 0.39 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| 3-Methylbutanol SCHEMBL27558645 | 0.84 | — | — | |
| 3-Methylbutanol SCHEMBL12054 | 0.84 | — | — | |
| 3-Methylbutanol SCHEMBL901083 | 0.84 | TSHR (0.50) | ALDH1A1TDP1TSHRCA1 | |
| 3-Methylbutanol SCHEMBL8407955 | 0.84 | TSHR (0.50) | ALDH1A1TDP1TSHRCA1 | |
| 3-Methylbutanol SCHEMBL6365082 | 0.83 | CA1 (0.39) | ALDH1A1TDP1ANPEPLAP3ERAP1 | |
| 3-Methylbutanol SCHEMBL18229919 | 0.81 | — | — | |
| 3-Methylbutanol SCHEMBL4806376 | 0.81 | — | — | |
| 3-Methylbutanol SCHEMBL4323028 | 0.81 | — | — | |
| 3-Methylbutanol SCHEMBL8463763 | 0.81 | — | — | |
| 3-Methylbutanol SCHEMBL29788772 | 0.81 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105805426-B | Pipeline runs through device | 上海火克新材料有限公司 | 2017-10-27 | — | — | CN | claimed |
| CN-108299160-A | A kind of method of purification of 3- methyl-3-butene-1-alcohols | 山东成泰化工有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-105805426-B | Pipeline runs through device | 上海火克新材料有限公司 | 2017-10-27 | — | — | CN | disclosed |
| EP-1765968-B1 | PHOSPHATED ALCANOL, ITS USE AS A HYDROTROPE AND CLEANING COMPOSITION CONTAINING THE COMPOUND | AKZO NOBEL NV (NL) | 2008-12-10 | — | — | EP | disclosed |
| EP-1765968-A1 | PHOSPHATED ALCANOL, ITS USE AS A HYDROTROPE AND CLEANING COMPOSITION CONTAINING THE COMPOUND | Akzo Nobel N.V. (NL) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006005721-A1 | PHOSPHATED ALCANOL, ITS USE AS A HYDROTROPE AND CLEANING COMPOSITION CONTAINING THE COMPOUND | AKZO NOBEL N.V. (NL) | 2006-01-19 | — | — | WO | disclosed |