Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.53 |
| ▸ | JAK2 | O60674 | 1/20 | 0.52 |
| ▸ | JAK1 | P23458 | 1/20 | 0.52 |
| ▸ | TYK2 | P29597 | 1/20 | 0.52 |
| ▸ | JAK3 | P52333 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | MAP2K4 | P45985 | 7/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MAPK6 | Q16659 | 2/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.47 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13386744 | 0.90 | JAK2 (0.50) | CHEK1JAK2JAK1TYK2JAK3 | |
| SCHEMBL31033009 | 0.86 | CHEK1 (0.53) | CHEK1JAK2JAK1MAP2K4MAPK1 | |
| SCHEMBL19773425 | 0.84 | CHEK1 (0.52) | CHEK1JAK2JAK1TYK2JAK3 | |
| SCHEMBL8877902 | 0.84 | JAK1 (0.65) | CHEK1JAK2JAK1TYK2JAK3 | |
| SCHEMBL19208914 | 0.83 | JAK2 (0.59) | CHEK1JAK2JAK1TYK2JAK3 | |
| SCHEMBL16252829 | 0.83 | MAP2K4 (0.52) | JAK2JAK1TYK2JAK3MAP2K4 | |
| SCHEMBL31173858 | 0.83 | MAP2K4 (0.51) | CHEK1JAK2JAK1TYK2JAK3 | |
| SCHEMBL15540985 | 0.83 | MAP2K4 (0.52) | CHEK1JAK2JAK1TYK2JAK3 | |
| SCHEMBL5051796 | 0.83 | CHEK1 (0.54) | CHEK1MAP2K4MAPK1MAPK6MAPKAPK2 | |
| SCHEMBL15541582 | 0.83 | JAK2 (0.53) | JAK2JAK1TYK2JAK3ITGB3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109121414-A | Benzopyrazole compounds and analogs thereof | 拜奥克里斯特制药公司 | 2019-01-01 | — | — | CN | disclosed |