Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 18/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 7/20 | 0.53 |
| ▸ | PARP3 | Q9Y6F1 | 11/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL854033 | 0.96 | PARP1 (0.46) | PARP1PARP2ALDH1A1 | |
| SCHEMBL853210 | 0.88 | PARP1 (0.60) | PARP1PARP2PARP3 | |
| SCHEMBL854675 | 0.86 | HRH3 (0.46) | PARP1PARP2PARP3ALDH1A1 | |
| SCHEMBL853555 | 0.86 | PARP1 (0.46) | PARP1PARP2 | |
| SCHEMBL855616 | 0.85 | ALDH1A1 (0.46) | PARP1PARP2ALDH1A1 | |
| SCHEMBL853399 | 0.82 | ALDH1A1 (0.53) | PARP1ALDH1A1 | |
| SCHEMBL853974 | 0.81 | PARP1 (0.45) | PARP1PARP2PARP3 | |
| SCHEMBL854205 | 0.81 | PARP1 (0.44) | PARP1PARP2PARP3 | |
| SCHEMBL854604 | 0.81 | PARP1 (0.61) | PARP1PARP2PARP3 | |
| SCHEMBL853849 | 0.81 | PARP1 (0.56) | PARP1PARP2PARP3ALDH1A1 |
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 2 patents. 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 | claimed |
| WO-2010133647-A1 | ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2010-11-25 | — | — | WO | claimed |