Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.48 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5382536 | 0.81 | CYP19A1 (0.52) | CYP2A6CYP19A1KMT2APKN2PIK3C3 | |
| SCHEMBL5377972 | 0.80 | GSK3B (0.56) | PKN2 | |
| SCHEMBL5384453 | 0.80 | CYP19A1 (0.59) | CYP19A1KMT2APKN2NPY5RALDH1A1 | |
| SCHEMBL5381418 | 0.79 | CYP19A1 (0.54) | CYP19A1KMT2APKN2PIK3C3NPY5R | |
| SCHEMBL10840148 | 0.78 | CYP19A1 (0.52) | CYP2A6CYP19A1KMT2APKN2PIK3C3 | |
| SCHEMBL5400045 | 0.76 | GSK3B (0.69) | CYP2A6CYP19A1KMT2APIK3C3ALK | |
| SCHEMBL5376057 | 0.76 | KMT2A (0.54) | CYP19A1KMT2ANPY5RALDH1A1BTK | |
| SCHEMBL1606072 | 0.75 | CYP19A1 (0.65) | CYP2A6CYP19A1KMT2AALKNPY5R | |
| SCHEMBL17518797 | 0.75 | CYP2A6 (1.00) | CYP2A6CYP19A1NPY5RCYP3A4ALDH1A1 | |
| SCHEMBL7946248 | 0.74 | CYP19A1 (0.68) | CYP2A6CYP19A1KMT2ANPY5RCYP3A4 |
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-7256199-B1 | Pyrimidone derivatives | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-08-14 | — | — | US | disclosed |
| EP-1115721-B1 | PYRIMIDONE DERIVATIVES | MITSUBISHI CHEM CORP (JP) | 2003-12-10 | — | — | EP | disclosed |