Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 9/20 | 0.45 |
| ▸ | TYK2 | P29597 | 8/20 | 0.44 |
| ▸ | JAK3 | P52333 | 8/20 | 0.44 |
| ▸ | JAK2 | O60674 | 6/20 | 0.44 |
| ▸ | JAK1 | P23458 | 6/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22055257 | 0.96 | AURKA (0.49) | AURKASRCGSK3BNTRK1TYK2 | |
| SCHEMBL23878843 | 0.86 | TYK2 (0.56) | AURKASRCGSK3BNTRK1TYK2 | |
| SCHEMBL22054963 | 0.86 | TYK2 (0.56) | AURKASRCGSK3BNTRK1TYK2 | |
| SCHEMBL24995571 | 0.84 | PAK1 (0.44) | AURKAGSK3BTYK2JAK3JAK2 | |
| SCHEMBL24995883 | 0.83 | PLK4 (0.48) | NTRK1TYK2JAK3JAK2JAK1 | |
| SCHEMBL22054597 | 0.82 | AURKA (0.49) | AURKASRCGSK3BNTRK1TYK2 | |
| SCHEMBL22054221 | 0.82 | JAK2 (0.55) | AURKASRCGSK3BNTRK1TYK2 | |
| SCHEMBL22054199 | 0.82 | AURKA (0.54) | AURKASRCGSK3BNTRK1AURKB | |
| SCHEMBL24071771 | 0.80 | AURKA (0.52) | AURKASRCGSK3BNTRK1TYK2 | |
| SCHEMBL19503874 | 0.78 | TYK2 (0.64) | TYK2JAK3JAK2JAK1P2RX3 |
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 |