Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | VCP | P55072 | 9/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5290113 | 0.92 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3830636 | 0.82 | NISCH (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3836383 | 0.82 | NISCH (0.36) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL4706526 | 0.81 | ALK (0.35) | — | |
| SCHEMBL549271 | 0.78 | NISCH (0.34) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL549270 | 0.78 | NISCH (0.34) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5307575 | 0.75 | NISCH (0.51) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL548311 | 0.75 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL548310 | 0.75 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL7834814 | 0.75 | TDP1 (0.46) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1858860-A1 | PHTHALAZINONES | Merck Patent GmbH (DE) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006097176-A1 | PHTHALAZINONES | MERCK PATENT GMBH (DE) | 2006-09-21 | — | — | WO | disclosed |