Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYK2 | P29597 | 14/20 | 0.45 |
| ▸ | JAK3 | P52333 | 13/20 | 0.45 |
| ▸ | JAK1 | P23458 | 9/20 | 0.45 |
| ▸ | JAK2 | O60674 | 9/20 | 0.43 |
| ▸ | PLK4 | O00444 | 2/20 | 0.38 |
| ▸ | PAK4 | O96013 | 2/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22055238 | 1.00 | TYK2 (0.45) | TYK2JAK3JAK1JAK2PLK4 | |
| SCHEMBL23878807 | 0.88 | TYK2 (0.59) | TYK2JAK3JAK1JAK2PLK4 | |
| SCHEMBL22054206 | 0.88 | TYK2 (0.59) | TYK2JAK3JAK1JAK2PLK4 | |
| SCHEMBL22054204 | 0.86 | TYK2 (0.42) | TYK2JAK3JAK1JAK2PLK4 | |
| SCHEMBL23889402 | 0.85 | TYK2 (0.46) | TYK2JAK3JAK1JAK2PLK4 | |
| SCHEMBL22054192 | 0.85 | TYK2 (0.43) | TYK2JAK3JAK1JAK2PLK4 | |
| SCHEMBL23889481 | 0.85 | TYK2 (0.42) | TYK2JAK3JAK1JAK2PLK4 | |
| SCHEMBL22054576 | 0.84 | NTRK1 (0.48) | TYK2JAK3JAK1JAK2PLK4 | |
| SCHEMBL23889266 | 0.84 | NTRK1 (0.51) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22055041 | 0.84 | NTRK1 (0.51) | TYK2JAK3JAK1JAK2NTRK1 |
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 |