Known targets — ChEMBL curated mechanism
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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 SCHEMBL28277156 | 0.95 | TP53 (0.43) | TP53CA1TSHRALDH1A1 | |
| Sulfuric Acid SCHEMBL28278461 | 0.85 | TP53 (0.40) | TP53CA1CA2TSHRALDH1A1 | |
| Sulfuric Acid SCHEMBL28538073 | 0.83 | FUT7 (0.40) | TP53CA1CA2FUT7 | |
| 3-Methylbutanol SCHEMBL29115035 | 0.83 | — | — | |
| Sulfuric Acid SCHEMBL43669 | 0.81 | FUT7 (0.42) | TP53CA1CA2TSHRALDH1A1 | |
| Sulfuric Acid SCHEMBL28534827 | 0.81 | FUT7 (0.42) | TP53CA1CA2TSHRALDH1A1 | |
| 3-Methylbutanol SCHEMBL28523362 | 0.81 | TP53 (0.43) | TP53CA1TSHRALDH1A1ALOX15 | |
| 3-Methylbutanol SCHEMBL28538075 | 0.81 | TP53 (0.43) | TP53CA1TSHRALDH1A1ALOX15 | |
| 3-Methylbutanol SCHEMBL28277113 | 0.81 | TP53 (0.43) | TP53CA1TSHRALDH1A1ALOX15 | |
| 3-Methylbutanol SCHEMBL28277110 | 0.81 | TP53 (0.43) | TP53CA1TSHRALDH1A1ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109355901-A | A kind of novel and multifunctional printing and dyeing scouring agent | 吴江灵捷印染化工助剂有限公司 | 2019-02-19 | — | — | CN | claimed |
| 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 |
| CN-109355901-A | A kind of novel and multifunctional printing and dyeing scouring agent | 吴江灵捷印染化工助剂有限公司 | 2019-02-19 | — | — | CN | disclosed |