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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 SCHEMBL28277110 | 0.94 | TP53 (0.43) | TP53TSHRCA1CA5ACA5B | |
| 3-Methylbutanol SCHEMBL28538075 | 0.94 | TP53 (0.43) | TP53TSHRCA1CA5ACA5B | |
| 3-Methylbutanol SCHEMBL28277113 | 0.94 | TP53 (0.43) | TP53TSHRCA1CA5ACA5B | |
| 3-Methylbutanol SCHEMBL4323028 | 0.85 | — | — | |
| Sulfuric Acid SCHEMBL28526140 | 0.84 | TP53 (0.40) | TP53TSHRCA1CA5ACA5B | |
| Sulfuric Acid SCHEMBL28538072 | 0.82 | TP53 (0.43) | TP53TSHRCA1ALDH1A1 | |
| 3-Methylbutanol SCHEMBL27558645 | 0.82 | — | — | |
| 3-Methylbutanol SCHEMBL901083 | 0.82 | TSHR (0.50) | TSHRCA1ALDH1A1ALOX15 | |
| 3-Methylbutanol SCHEMBL8407955 | 0.82 | TSHR (0.50) | TSHRCA1ALDH1A1ALOX15 | |
| 3-Methylbutanol SCHEMBL12054 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109355901-B | Multifunctional printing and dyeing scouring agent | 吴江灵捷印染化工助剂有限公司 | 2021-03-05 | — | — | CN | disclosed |