Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 9/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 4/20 | 0.46 |
| ▸ | PAK4 | O96013 | 4/20 | 0.46 |
| ▸ | TYK2 | P29597 | 6/20 | 0.44 |
| ▸ | JAK3 | P52333 | 6/20 | 0.44 |
| ▸ | JAK1 | P23458 | 5/20 | 0.44 |
| ▸ | JAK2 | O60674 | 3/20 | 0.44 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.44 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22054571 | 0.87 | AURKA (0.56) | NTRK1AURKASRCGSK3BPLK4 | |
| SCHEMBL23879073 | 0.87 | NTRK1 (0.50) | NTRK1AURKASRCGSK3BPLK4 | |
| SCHEMBL22054463 | 0.84 | TYK2 (0.65) | NTRK1AURKASRCGSK3BTYK2 | |
| SCHEMBL23878853 | 0.84 | TYK2 (0.65) | NTRK1AURKASRCGSK3BTYK2 | |
| SCHEMBL23889596 | 0.84 | TYK2 (0.65) | NTRK1AURKASRCGSK3BTYK2 | |
| SCHEMBL22054573 | 0.83 | GPR119 (0.53) | NTRK1AURKATYK2JAK3JAK1 | |
| SCHEMBL30147229 | 0.83 | GPR119 (0.53) | NTRK1AURKATYK2JAK3JAK1 | |
| SCHEMBL23889551 | 0.82 | AURKA (0.48) | AURKASRCGSK3BPLK4PAK4 | |
| SCHEMBL22053997 | 0.80 | PLK4 (0.48) | AURKASRCGSK3BPLK4PAK4 | |
| SCHEMBL22054248 | 0.80 | PAK1 (0.56) | AURKASRCGSK3BPLK4PAK4 |
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-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 |