Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.52 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.51 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.51 |
| ▸ | PIM1 | P11309 | 2/20 | 0.46 |
| ▸ | ROS1 | P08922 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30085400 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085813 | 0.94 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894953 | 0.94 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894738 | 0.94 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085501 | 0.94 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085413 | 0.94 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894740 | 0.94 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894893 | 0.89 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085375 | 0.89 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085441 | 0.89 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | claimed |
| CN-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | disclosed |