Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYK2 | P29597 | 4/20 | 0.56 |
| ▸ | JAK3 | P52333 | 4/20 | 0.56 |
| ▸ | JAK1 | P23458 | 3/20 | 0.56 |
| ▸ | JAK2 | O60674 | 2/20 | 0.56 |
| ▸ | NTRK1 | P04629 | 13/20 | 0.53 |
| ▸ | AURKA | O14965 | 2/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.47 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22055174 | 0.95 | TYK2 (0.53) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22054137 | 0.93 | TYK2 (0.62) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22054578 | 0.92 | TYK2 (0.51) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL23879027 | 0.89 | TYK2 (0.69) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22054047 | 0.89 | TYK2 (0.69) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22055052 | 0.89 | TYK2 (0.52) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22055357 | 0.89 | TYK2 (0.56) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22055205 | 0.88 | TYK2 (0.57) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22055054 | 0.88 | TYK2 (0.52) | TYK2JAK3JAK1JAK2NTRK1 | |
| SCHEMBL22055350 | 0.87 | TYK2 (0.50) | TYK2JAK3JAK1JAK2AURKA |
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 2 patents. 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 |
| WO-2020108613-A1 | HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 江苏豪森药业集团有限公司 | 2020-06-04 | — | — | WO | disclosed |