Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 18/20 | 0.73 |
| ▸ | PARP3 | Q9Y6F1 | 11/20 | 0.73 |
| ▸ | PARP2 | Q9UGN5 | 7/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16227217 | 0.88 | PARP1 (0.67) | PARP1PARP3PARP2NPC1RAB9A | |
| SCHEMBL14976568 | 0.85 | PARP1 (1.00) | PARP1PARP3PARP2MAPK1 | |
| SCHEMBL16226563 | 0.83 | PARP1 (0.67) | PARP1PARP3PARP2MAPK1 | |
| SCHEMBL14976891 | 0.81 | PARP1 (0.92) | PARP1PARP3PARP2ALDH1A1 | |
| SCHEMBL3713263 | 0.81 | PARP1 (0.60) | PARP1PARP3PARP2 | |
| SCHEMBL14976885 | 0.80 | PARP1 (0.77) | PARP1PARP3PARP2NPC1 | |
| SCHEMBL14976773 | 0.79 | PARP1 (1.00) | PARP1PARP3PARP2MAPK1 | |
| Hydrochloric Acid SCHEMBL14976995 | 0.78 | PARP1 (0.98) | PARP1PARP3PARP2MAPK1 | |
| SCHEMBL14977334 | 0.77 | PARP1 (0.65) | PARP1PARP3PARP2NPC1RAB9A | |
| SCHEMBL16227155 | 0.74 | PARP1 (0.61) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2788328-A1 | 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2014-10-15 | — | — | EP | disclosed |
| WO-2013076090-A1 | 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2013-05-30 | — | — | WO | disclosed |