Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10535267 | 0.84 | — | — | |
| SCHEMBL2620003 | 0.79 | — | — | |
| SCHEMBL1018215 | 0.77 | — | — | |
| SCHEMBL14564083 | 0.77 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL8062567 | 0.77 | — | — | |
| SCHEMBL16328973 | 0.75 | — | — | |
| SCHEMBL6858248 | 0.75 | — | — | |
| SCHEMBL14405909 | 0.75 | — | — | |
| SCHEMBL18405909 | 0.75 | — | — | |
| SCHEMBL10860313 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2307429-A1 | SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS | Takasago International Corporation (JP) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010002386-A1 | SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2010-01-07 | — | — | WO | disclosed |