Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK5 | Q8IW41 | 3/20 | 0.46 |
| ▸ | TTK | P33981 | 8/20 | 0.43 |
| ▸ | PTK6 | Q13882 | 3/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22124394 | 0.92 | MAPKAPK5 (0.43) | MAPKAPK5TTKPTK6AURKASRC | |
| SCHEMBL30172085 | 0.92 | MAPKAPK5 (0.43) | MAPKAPK5TTKPTK6AURKASRC | |
| SCHEMBL22123377 | 0.87 | TTK (0.40) | MAPKAPK5TTKPTK6AURKA | |
| SCHEMBL22160884 | 0.86 | MAPKAPK5 (0.43) | MAPKAPK5TTKPTK6AURKASRC | |
| Hydrochloric Acid SCHEMBL30171906 | 0.86 | PTK6 (0.46) | MAPKAPK5TTKPTK6AURKAAURKB | |
| SCHEMBL22122967 | 0.85 | MAPKAPK5 (0.42) | MAPKAPK5TTKPTK6AURKAAURKB | |
| SCHEMBL30183391 | 0.85 | MAPKAPK5 (0.42) | MAPKAPK5TTKPTK6AURKAAURKB | |
| SCHEMBL24870961 | 0.85 | PTK6 (0.48) | MAPKAPK5PTK6SRCAURKB | |
| SCHEMBL30172037 | 0.85 | PTK6 (0.48) | MAPKAPK5PTK6SRCAURKB | |
| SCHEMBL22123796 | 0.84 | TTK (0.40) | MAPKAPK5TTKPTK6AURKA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3898631-B1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS | HOFFMANN LA ROCHE (CH) | 2023-01-18 | — | — | EP | disclosed |