Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | HTR1A | P08908 | 3/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6060532 | 0.90 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL6059810 | 0.90 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL6059316 | 0.87 | FOS (0.52) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL5702509 | 0.80 | EPHX2 (0.60) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 | |
| SCHEMBL5160966 | 0.79 | CYP1A2 (0.80) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL18454017 | 0.78 | HTR1A (0.64) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 | |
| Vanillyl Alcohol SCHEMBL117979 | 0.78 | CYP1A2 (0.56) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 | |
| Alcohol SCHEMBL579289 | 0.77 | CYP1A2 (0.55) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 | |
| Vanillyl Alcohol SCHEMBL3386819 | 0.77 | CYP1A2 (0.55) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 | |
| Vanillyl Alcohol SCHEMBL15272606 | 0.77 | CYP1A2 (0.55) | CYP3A4CYP2C9CYP2C19CYP2C8CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006125276-A1 | PHENYLALKANOL COMPOUNDS | ZINGOTX PTY LTD (AU) | 2006-11-30 | — | — | WO | disclosed |