Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 5/20 | 0.56 |
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.50 |
| ▸ | GAK | O14976 | 1/20 | 0.50 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.50 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.50 |
| ▸ | DMPK | Q09013 | 1/20 | 0.50 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.50 |
| ▸ | PIK3C3 | Q8NEB9 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TGFBR2 | P37173 | 3/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL24897650 | 1.00 | TGFBR1 (0.56) | TGFBR1AAK1GAKDAPK3JAK2 | |
| SCHEMBL27220598 | 0.90 | AAK1 (0.48) | TGFBR1AAK1GAKDAPK3JAK2 | |
| SCHEMBL30185619 | 0.89 | AAK1 (0.62) | TGFBR1AAK1GAKDAPK3JAK2 | |
| SCHEMBL24897652 | 0.89 | AAK1 (0.62) | TGFBR1AAK1GAKDAPK3JAK2 | |
| SCHEMBL17840716 | 0.80 | TGFBR1 (0.76) | TGFBR1TGFBR2MAPK14 | |
| SCHEMBL26738638 | 0.77 | AAK1 (0.54) | TGFBR1AAK1GAKBMP2K | |
| SCHEMBL24897634 | 0.77 | AAK1 (0.68) | AAK1GAKDAPK3JAK2ROCK2 | |
| SCHEMBL24897683 | 0.77 | AAK1 (0.68) | AAK1GAKDAPK3JAK2ROCK2 | |
| SCHEMBL24897651 | 0.76 | AAK1 (0.67) | AAK1GAKDAPK3JAK2ROCK2 | |
| SCHEMBL24897632 | 0.76 | AAK1 (0.67) | AAK1GAKDAPK3JAK2ROCK2 |
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 |