Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 18/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 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 SCHEMBL3913129 | 0.95 | PARP1 (0.52) | PARP1HDAC1HDAC6PARP2MEN1 | |
| SCHEMBL3913132 | 0.83 | PARP1 (0.44) | PARP1PARP2 | |
| SCHEMBL20544685 | 0.83 | PARP1 (0.55) | PARP1 | |
| SCHEMBL20544546 | 0.81 | PARP1 (0.56) | PARP1 | |
| SCHEMBL20544631 | 0.81 | PARP1 (0.53) | PARP1 | |
| SCHEMBL20544239 | 0.81 | PARP1 (0.65) | PARP1 | |
| SCHEMBL3920570 | 0.80 | PARP1 (0.68) | PARP1 | |
| Trifluoroacetic Acid SCHEMBL3911941 | 0.79 | PARP1 (0.51) | PARP1 | |
| SCHEMBL3916010 | 0.78 | PARP1 (0.54) | PARP1 | |
| Trifluoroacetic Acid SCHEMBL3910512 | 0.78 | PARP1 (0.52) | 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 |