Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 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 SCHEMBL12054 | 1.00 | — | — | |
| 3-Methylbutanol SCHEMBL901083 | 1.00 | TSHR (0.50) | TSHRALDH1A1THRBCA1ALOX15 | |
| 3-Methylbutanol SCHEMBL29788772 | 0.96 | — | — | |
| 3-Methylbutanol SCHEMBL4806376 | 0.96 | — | — | |
| 3-Methylbutanol SCHEMBL29158235 | 0.96 | TSHR (0.47) | TSHRALDH1A1THRBCA1ALOX15 | |
| 3-Methylbutanol SCHEMBL8463763 | 0.96 | — | — | |
| 3-Methylbutanol SCHEMBL18229919 | 0.96 | — | — | |
| 3-Methylbutanol SCHEMBL4323028 | 0.96 | — | — | |
| 3-Methylbutanol SCHEMBL3892823 | 0.96 | — | — | |
| 3-Methylbutanol SCHEMBL29788743 | 0.96 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6001410-A | TOGETHER WITH SCLAREOLIDE AND/OR SUCCINIC ACID FOR ENHANCING THE ALCOHOLIC IMPACT OF A FRUIT LIQUEUR BEVERAGE. | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1999-12-14 | — | — | US | disclosed |