Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 20/20 | 0.64 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.57 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.57 |
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 SCHEMBL3981579 | 0.98 | PARP1 (0.61) | PARP1PARP2PARP3 | |
| SCHEMBL20544501 | 0.92 | PARP1 (0.61) | PARP1PARP2PARP3 | |
| Trifluoroacetic Acid SCHEMBL4246186 | 0.90 | PARP1 (0.59) | PARP1PARP2PARP3 | |
| SCHEMBL4252874 | 0.90 | PARP1 (0.78) | PARP1 | |
| SCHEMBL20544235 | 0.88 | PARP1 (0.64) | PARP1PARP2PARP3 | |
| Trifluoroacetic Acid SCHEMBL4244887 | 0.85 | PARP1 (0.61) | PARP1PARP2PARP3 | |
| SCHEMBL20544497 | 0.84 | PARP1 (0.79) | PARP1PARP2PARP3 | |
| SCHEMBL3983235 | 0.83 | PARP1 (0.69) | PARP1 | |
| Trifluoroacetic Acid SCHEMBL4244891 | 0.82 | PARP1 (0.76) | PARP1PARP2PARP3 | |
| SCHEMBL3981582 | 0.82 | PARP1 (0.48) | PARP1PARP2PARP3 |
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 |