Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.60 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.50 |
| ▸ | AURKA | O14965 | 2/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.46 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.46 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.46 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.46 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581733 | 0.96 | PARP1 (0.56) | PARP1AURKBAURKAPARP2DHODH | |
| SCHEMBL6580875 | 0.90 | PARP1 (0.48) | PARP1 | |
| SCHEMBL6581295 | 0.88 | AURKB (0.56) | PARP1AURKBAURKAPARP2DHODH | |
| SCHEMBL6580718 | 0.86 | AURKB (0.61) | PARP1AURKBAURKADHODHPRKD3 | |
| SCHEMBL6581325 | 0.86 | PARP1 (0.53) | PARP1AURKBAURKAPARP2DHODH | |
| SCHEMBL6588365 | 0.86 | AURKA (0.54) | PARP1AURKBAURKAPARP2DHODH | |
| SCHEMBL6584337 | 0.85 | AURKB (0.53) | PARP1AURKBAURKAPARP2DHODH | |
| SCHEMBL6584331 | 0.84 | AURKB (0.50) | PARP1AURKBAURKAPARP2DHODH | |
| SCHEMBL6582942 | 0.84 | PARP1 (0.43) | PARP1AURKBAURKAPRKD3MAP4K4 | |
| SCHEMBL6585609 | 0.84 | AURKB (0.66) | PARP1AURKBAURKAPARP2DHODH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1391457-B1 | Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors | ABBVIE DEUTSCHLAND (DE) | 2013-12-25 | — | — | EP | disclosed |
| EP-1127052-B1 | SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE | ABBOTT GMBH & CO KG (DE) | 2004-12-08 | — | — | EP | disclosed |
| EP-1391457-A1 | Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors | Abbott GmbH & Co. KG (DE) | 2004-02-25 | — | — | EP | disclosed |