Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | PI4KA | P42356 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.43 |
| ▸ | ICMT | O60725 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.37 |
| ▸ | COMT | P21964 | 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 | |
|---|---|---|---|---|
| SCHEMBL29487862 | 0.89 | CYP1A2 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4827059 | 0.76 | CYP1A2 (0.63) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL980384 | 0.73 | PIK3CD (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15652106 | 0.73 | ALDH1A1 (0.59) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30839799 | 0.73 | ALDH1A1 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27185954 | 0.73 | ALDH1A1 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28234703 | 0.72 | KDM4E (0.47) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16826278 | 0.72 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18483005 | 0.72 | COMT (0.46) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27975555 | 0.72 | BRD4 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024078513-A1 | CONDENSED AZINES FOR TREATING CANCER | CHENGDU ANTICANCER BIOSCIENCE , LTD. (CN) | 2024-04-18 | — | — | WO | disclosed |