Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 2/20 | 0.45 |
| ▸ | TYK2 | P29597 | 15/20 | 0.41 |
| ▸ | JAK3 | P52333 | 15/20 | 0.41 |
| ▸ | JAK1 | P23458 | 12/20 | 0.40 |
| ▸ | JAK2 | O60674 | 11/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22054002 | 0.84 | PAK1 (0.45) | PAK1TYK2JAK3JAK1JAK2 | |
| SCHEMBL23878799 | 0.84 | PAK1 (0.45) | PAK1TYK2JAK3JAK1JAK2 | |
| SCHEMBL24996446 | 0.81 | PAK1 (0.47) | PAK1TYK2JAK3JAK1JAK2 | |
| SCHEMBL30147246 | 0.79 | PAK1 (0.52) | PAK1TYK2JAK3JAK1JAK2 | |
| SCHEMBL23889517 | 0.79 | TYK2 (0.60) | PAK1TYK2JAK3JAK1JAK2 | |
| SCHEMBL22054248 | 0.79 | PAK1 (0.56) | PAK1JAK2DYRK3PRKD3MAP4K4 | |
| SCHEMBL23878886 | 0.78 | JAK3 (0.48) | PAK1TYK2JAK3JAK1JAK2 | |
| SCHEMBL23878888 | 0.78 | JAK3 (0.48) | PAK1TYK2JAK3JAK1JAK2 | |
| SCHEMBL23878841 | 0.77 | PAK1 (0.48) | PAK1TYK2JAK3JAK1JAK2 | |
| SCHEMBL23878772 | 0.77 | TYK2 (0.49) | PAK1TYK2JAK3JAK1JAK2 |
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-2021238908-A1 | SALT AND CRYSTAL FORM OF HETEROARYL DERIVATIVE, AND PREPARATION METHOD THEREFOR | 上海翰森生物医药科技有限公司 | 2021-12-02 | — | — | WO | disclosed |