Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1973064 | 0.72 | ALDH1A1 (0.39) | ALDH1A1CYP2C19 | |
| SCHEMBL48154 | 0.70 | — | — | |
| SCHEMBL22975 | 0.70 | — | — | |
| SCHEMBL8221781 | 0.69 | ALDH1A1 (0.44) | ALDH1A1CYP2C19THRB | |
| SCHEMBL8528064 | 0.69 | ALDH1A1 (0.44) | ALDH1A1CYP2C19THRB | |
| SCHEMBL11767025 | 0.69 | ALDH1A1 (0.53) | ALDH1A1CYP2C19THRB | |
| SCHEMBL28366938 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL5901473 | 0.67 | — | — | |
| Tert-Butanol SCHEMBL15300416 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP2C19THRB | |
| Isopropyl Alcohol SCHEMBL22587395 | 0.67 | ALDH1A1 (0.55) | ALDH1A1CYP2C19THRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011033047-A1 | CARBINOLS HAVING OLFACTORY PROPERTIES REMINISCENT OF PATCHOULI OIL | GIVAUDAN SA (CH) | 2011-03-24 | — | — | WO | claimed |
| WO-2011033047-A1 | CARBINOLS HAVING OLFACTORY PROPERTIES REMINISCENT OF PATCHOULI OIL | GIVAUDAN SA (CH) | 2011-03-24 | — | — | WO | disclosed |