Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.42 |
| ▸ | ROS1 | P08922 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30085528 | 1.00 | EIF2AK4 (0.42) | EIF2AK4ROS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30085475 | 1.00 | EIF2AK4 (0.42) | EIF2AK4ROS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30085691 | 0.92 | CYP3A4 (0.45) | EIF2AK4ROS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30085389 | 0.92 | CYP3A4 (0.45) | EIF2AK4ROS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30085477 | 0.92 | CYP3A4 (0.45) | EIF2AK4ROS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25459774 | 0.92 | CYP3A4 (0.45) | EIF2AK4ROS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30085428 | 0.92 | CYP3A4 (0.45) | EIF2AK4ROS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28895168 | 0.91 | CYP3A4 (0.45) | ROS1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30085369 | 0.87 | ROS1 (0.44) | ROS1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30085393 | 0.87 | ROS1 (0.44) | ROS1CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |