Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 17/20 | 0.56 |
| ▸ | PARP3 | Q9Y6F1 | 10/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 6/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL854082 | 0.81 | PARP1 (0.64) | PARP1PARP3PARP2 | |
| SCHEMBL854699 | 0.81 | PARP1 (0.69) | PARP1PARP3PARP2 | |
| Trifluoroacetic Acid SCHEMBL854159 | 0.80 | PARP1 (0.55) | PARP1PARP3PARP2 | |
| SCHEMBL854836 | 0.80 | PARP1 (0.61) | PARP1PARP3PARP2 | |
| SCHEMBL854607 | 0.79 | PARP1 (0.76) | PARP1PARP3PARP2 | |
| SCHEMBL854229 | 0.79 | PARP1 (0.69) | PARP1PARP3PARP2 | |
| SCHEMBL3713263 | 0.79 | PARP1 (0.60) | PARP1PARP3PARP2 | |
| Hydrochloric Acid SCHEMBL855640 | 0.78 | PARP1 (0.74) | PARP1PARP3PARP2 | |
| SCHEMBL853576 | 0.78 | PARP1 (0.55) | PARP1PARP3PARP2 | |
| SCHEMBL854579 | 0.78 | PARP1 (0.86) | PARP1PARP3PARP2 |
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-2432765-A1 | ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2012-03-28 | — | — | EP | disclosed |