Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.56 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | ATR | Q13535 | 2/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.43 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.43 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.43 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6583802 | 0.96 | PARP1 (0.60) | PARP1AURKBAURKADHODHPARP2 | |
| SCHEMBL6591285 | 0.87 | AURKA (0.51) | PARP1AURKBAURKADHODHATR | |
| SCHEMBL6580875 | 0.86 | PARP1 (0.48) | PARP1 | |
| SCHEMBL6584337 | 0.85 | AURKB (0.53) | PARP1AURKBAURKADHODHPARP2 | |
| SCHEMBL6581295 | 0.85 | AURKB (0.56) | PARP1AURKBAURKADHODHPARP2 | |
| SCHEMBL3582368 | 0.85 | AURKB (0.64) | PARP1AURKBAURKADHODHPARP2 | |
| SCHEMBL6864445 | 0.83 | PARP1 (0.46) | PARP1PIM1 | |
| SCHEMBL6580794 | 0.83 | AURKB (0.57) | PARP1AURKBAURKADHODHPRKD3 | |
| SCHEMBL6584369 | 0.83 | PARP1 (0.50) | PARP1AURKBAURKADHODHPARP2 | |
| SCHEMBL6582942 | 0.83 | PARP1 (0.43) | PARP1AURKBAURKAATRPRKD3 |
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 |