Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 13/20 | 0.56 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22122900 | 0.89 | TTK (0.54) | TTKMAPKAPK5AURKASRCALDH1A1 | |
| SCHEMBL30171661 | 0.82 | TTK (0.47) | TTKMAPKAPK5AURKASRCALDH1A1 | |
| SCHEMBL22122938 | 0.82 | TTK (0.47) | TTKMAPKAPK5AURKASRCALDH1A1 | |
| SCHEMBL22123231 | 0.81 | AURKA (0.44) | TTKMAPKAPK5AURKAALDH1A1CYP1A2 | |
| SCHEMBL25447222 | 0.81 | TTK (0.57) | TTKMAPKAPK5AURKASRC | |
| SCHEMBL22123505 | 0.79 | TTK (0.46) | TTKMAPKAPK5AURKASRCCDK2 | |
| SCHEMBL25013801 | 0.79 | TTK (0.57) | TTKMAPKAPK5AURKA | |
| SCHEMBL22122895 | 0.79 | TTK (0.52) | TTKMAPKAPK5AURKASRCTSHR | |
| SCHEMBL22122974 | 0.78 | TTK (0.49) | TTKMAPKAPK5AURKASRC | |
| SCHEMBL22122916 | 0.78 | TTK (0.49) | TTKMAPKAPK5AURKASRC |
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 |