Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 14/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.61 |
| ▸ | CYP2E1 | P05181 | 7/20 | 0.61 |
| ▸ | CYP2B6 | P20813 | 7/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3604389 | 0.82 | CYP2A6 (0.72) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL13680859 | 0.81 | ALDH1A1 (0.60) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL3618433 | 0.79 | CYP2A6 (0.72) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL13680899 | 0.78 | CYP2C19 (0.40) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL13035223 | 0.78 | CYP2A6 (0.72) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL13681015 | 0.77 | ALDH1A1 (0.46) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL18551824 | 0.77 | CYP3A4 (0.66) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL2323648 | 0.76 | CYP3A4 (1.00) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL1791769 | 0.76 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL3611340 | 0.76 | CYP3A4 (1.00) | CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |