Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ROS1 | P08922 | 4/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | IDH2 | P48735 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 3/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28894671 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL30085381 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL28895168 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL25459774 | 0.87 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL28894738 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL28894740 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL28894935 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL30085501 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL30085759 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL28894953 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 |
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 |