Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROS1 | P08922 | 7/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | MET | P08581 | 1/20 | 0.50 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28894931 | 1.00 | ROS1 (0.57) | ROS1CYP3A4CYP2C9METALK | |
| SCHEMBL30085483 | 1.00 | ROS1 (0.57) | ROS1CYP3A4CYP2C9METALK | |
| SCHEMBL28894940 | 1.00 | ROS1 (0.57) | ROS1CYP3A4CYP2C9METALK | |
| SCHEMBL28894929 | 1.00 | ROS1 (0.57) | ROS1CYP3A4CYP2C9METALK | |
| SCHEMBL28894909 | 0.89 | CYP3A4 (0.50) | ROS1CYP3A4CYP2C9METALK | |
| SCHEMBL30085520 | 0.89 | CYP3A4 (0.50) | ROS1CYP3A4CYP2C9METALK | |
| SCHEMBL30085404 | 0.89 | CYP3A4 (0.50) | ROS1CYP3A4CYP2C9METALK | |
| SCHEMBL28894862 | 0.89 | CYP3A4 (0.50) | ROS1CYP3A4CYP2C9METALK | |
| SCHEMBL30085810 | 0.88 | CYP3A4 (0.48) | ROS1CYP3A4CYP2C9DYRK1ACLK4 | |
| SCHEMBL28895038 | 0.88 | CYP3A4 (0.48) | ROS1CYP3A4CYP2C9DYRK1ACLK4 |
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 |