Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL918234 | 0.83 | PARP1 (0.34) | PARP1HRH1 | |
| SCHEMBL2674418 | 0.77 | ROCK2 (0.33) | HRH1 | |
| SCHEMBL917835 | 0.73 | EEF2K (0.39) | — | |
| SCHEMBL14837204 | 0.72 | HPGD (0.41) | PARP1 | |
| SCHEMBL917490 | 0.72 | PARP1 (0.36) | PARP1 | |
| SCHEMBL14837201 | 0.72 | PARP1 (0.34) | PARP1 | |
| SCHEMBL917945 | 0.69 | ALDH1A1 (0.43) | PARP1 | |
| SCHEMBL918070 | 0.65 | KDM4E (0.35) | PARP1 | |
| SCHEMBL14837185 | 0.63 | MYC (0.42) | HRH1 | |
| SCHEMBL27658875 | 0.57 | KDM4E (0.35) | PARP1 |
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-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | disclosed |