Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6840352 | 0.84 | CYP3A4 (0.64) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL8198560 | 0.79 | CYP3A4 (0.60) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL13680533 | 0.79 | CYP2E1 (0.50) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL2092693 | 0.78 | KDM4E (0.56) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL7905176 | 0.77 | CYP3A4 (0.58) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL13680575 | 0.77 | CYP2E1 (0.51) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL13680539 | 0.77 | CYP19A1 (0.61) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL13680744 | 0.76 | CYP3A4 (0.53) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL13681280 | 0.76 | CYP2E1 (0.50) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL16603176 | 0.76 | LMNA (0.46) | CYP2A6CYP2B6CYP3A4CYP2E1CYP2C19 |
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 |