Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP51A1 | Q16850 | 8/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7662081 | 0.85 | CYP51A1 (0.40) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7656582 | 0.81 | CYP51A1 (0.49) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7656241 | 0.81 | CYP51A1 (0.40) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7657896 | 0.81 | CYP51A1 (0.44) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7669380 | 0.80 | CYP51A1 (0.40) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7662078 | 0.80 | FNTA (0.49) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7660603 | 0.80 | PTGS2 (0.40) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7653706 | 0.79 | PTGS2 (0.47) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7667482 | 0.78 | PTGS2 (0.43) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7662073 | 0.78 | CYP26A1 (0.45) | CYP51A1PTGS2CYP3A4CYP2C19CYP2D6 |
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 | disclosed |