Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | PKM | P14618 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13681019 | 0.84 | ALDH1A1 (0.36) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13681006 | 0.84 | CYP2C19 (0.39) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13681025 | 0.82 | MAPT (0.38) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13681020 | 0.81 | ALDH1A1 (0.40) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13681016 | 0.81 | CYP2A6 (0.36) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13681008 | 0.81 | CYP2C19 (0.36) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13680903 | 0.81 | ALDH1A1 (0.40) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13681005 | 0.80 | ALDH1A1 (0.39) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13680899 | 0.79 | CYP2C19 (0.40) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13681320 | 0.79 | CYP2C19 (0.39) | CYP2A6CYP2C19CYP2D6CYP2C9ALDH1A1 |
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 |