Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.56 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.55 |
| ▸ | AURKA | O14965 | 2/20 | 0.55 |
| ▸ | KDR | P35968 | 2/20 | 0.55 |
| ▸ | DHODH | Q02127 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581529 | 0.96 | AURKB (0.58) | PARP1AURKBAURKAKDRDHODH | |
| SCHEMBL6580794 | 0.89 | AURKB (0.57) | PARP1AURKBAURKAKDRDHODH | |
| SCHEMBL6590662 | 0.88 | AURKB (0.72) | PARP1AURKBAURKAKDRDHODH | |
| SCHEMBL6383679 | 0.87 | PARP1 (0.72) | PARP1AURKBAURKAKDRDHODH | |
| SCHEMBL3585484 | 0.87 | PARP1 (0.75) | PARP1AURKBAURKAKDRDHODH | |
| SCHEMBL6381152 | 0.86 | PARP1 (0.73) | PARP1AURKBAURKAKDRDHODH | |
| SCHEMBL6869442 | 0.86 | AURKA (0.47) | PARP1AURKBAURKAKDR | |
| SCHEMBL6581347 | 0.85 | AURKB (0.65) | PARP1AURKBAURKAKDRDHODH | |
| SCHEMBL6583299 | 0.85 | AURKB (0.71) | PARP1AURKBAURKAKDRDHODH | |
| SCHEMBL6580718 | 0.85 | AURKB (0.61) | PARP1AURKBAURKAKDRDHODH |
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 |