Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 18/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | GAK | O14976 | 2/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | CIT | O14578 | 1/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.51 |
| ▸ | MYLK2 | Q9H1R3 | 1/20 | 0.51 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.51 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.49 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.48 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.48 |
| ▸ | DMPK | Q09013 | 1/20 | 0.48 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29174170 | 0.81 | AAK1 (0.61) | AAK1CYP3A4GAKROCK2PIK3C3 | |
| SCHEMBL30185615 | 0.81 | AAK1 (0.61) | AAK1CYP3A4GAKROCK2PIK3C3 | |
| SCHEMBL24897652 | 0.80 | AAK1 (0.62) | AAK1CYP3A4GAKROCK2CIT | |
| SCHEMBL30185619 | 0.80 | AAK1 (0.62) | AAK1CYP3A4GAKROCK2CIT | |
| SCHEMBL17155570 | 0.79 | AAK1 (1.00) | AAK1CYP3A4GAKROCK2CIT | |
| SCHEMBL20738221 | 0.79 | AAK1 (1.00) | AAK1CYP3A4GAKROCK2CIT | |
| SCHEMBL29400561 | 0.79 | AAK1 (1.00) | AAK1CYP3A4GAKROCK2CIT | |
| SCHEMBL30059554 | 0.78 | AAK1 (1.00) | AAK1CYP3A4GAKROCK2CIT | |
| SCHEMBL20154451 | 0.78 | AAK1 (1.00) | AAK1CYP3A4GAKROCK2CIT | |
| SCHEMBL30185610 | 0.78 | AAK1 (0.81) | AAK1CYP3A4GAKROCK2CIT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023284838-A1 | AAK1 INHIBITOR AND USE THEREOF | 四川海思科制药有限公司 | 2023-01-19 | — | — | WO | disclosed |