Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | ROS1 | P08922 | 4/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | KDM6B | O15054 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL30085623 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25458755 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085550 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894650 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894645 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25458760 | 0.85 | ROS1 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085759 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894738 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28894889 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30085413 | 0.83 | CYP3A4 (0.48) | 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 |