Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CYP51A1 | Q16850 | 5/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7659533 | 0.90 | CYP51A1 (0.46) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 | |
| SCHEMBL7660594 | 0.87 | CYP3A4 (0.43) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 | |
| SCHEMBL7666171 | 0.83 | FNTA (0.49) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 | |
| SCHEMBL7667473 | 0.83 | FNTA (0.54) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 | |
| SCHEMBL7666173 | 0.82 | PTGS2 (0.44) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 | |
| SCHEMBL7660388 | 0.80 | FNTA (0.56) | FNTAFNTBPGGT1B | |
| SCHEMBL7656231 | 0.80 | FNTA (0.49) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 | |
| SCHEMBL7662073 | 0.79 | CYP26A1 (0.45) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 | |
| SCHEMBL7669307 | 0.79 | FNTA (0.45) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 | |
| SCHEMBL7667477 | 0.78 | FNTA (0.53) | CYP3A4CYP2C19CYP2D6CYP2C9PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6410539-B1 | ANTICARCINOGENIC AGENTS | ASTRAZENCA UK LIMITED (GB) | 2002-06-25 | — | — | US | claimed |