Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.55 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | CLK2 | P49760 | 1/20 | 0.49 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.49 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3911941 | 0.95 | PARP1 (0.51) | PARP1MAP4K4CLK2MAP4K2AURKB | |
| SCHEMBL20544546 | 0.89 | PARP1 (0.56) | PARP1 | |
| Trifluoroacetic Acid SCHEMBL3910512 | 0.85 | PARP1 (0.52) | PARP1 | |
| SCHEMBL20544631 | 0.84 | PARP1 (0.53) | PARP1 | |
| SCHEMBL20544636 | 0.83 | PARP1 (0.56) | PARP1 | |
| SCHEMBL20544237 | 0.83 | PARP1 (0.55) | PARP1MAP4K4CLK2MAP4K2AURKB | |
| SCHEMBL20544400 | 0.81 | PARP1 (0.67) | PARP1MAP4K4CLK2MAP4K2AURKB | |
| Trifluoroacetic Acid SCHEMBL3921657 | 0.80 | PARP1 (0.49) | PARP1 | |
| SCHEMBL3911943 | 0.80 | PARP1 (0.49) | PARP1 | |
| SCHEMBL20544239 | 0.80 | PARP1 (0.65) | 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-2029551-B1 | PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | MSD ITALIA SRL (IT) | 2018-10-31 | — | — | EP | claimed |