Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 18/20 | 0.51 |
| ▸ | AURKA | O14965 | 2/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620008 | 0.97 | PARP1 (0.48) | PARP1AURKARPS6KB1AURKB | |
| SCHEMBL7702652 | 0.89 | PARP1 (0.55) | PARP1AURKAPARP2KDRAURKB | |
| SCHEMBL6872931 | 0.88 | PARP1 (0.40) | PARP1AURKARPS6KB1KDR | |
| SCHEMBL7702645 | 0.86 | PARP1 (0.52) | PARP1AURKB | |
| SCHEMBL5621376 | 0.85 | PARP1 (0.70) | PARP1AURKAPARP2AURKB | |
| SCHEMBL6874143 | 0.85 | POLB (0.39) | PARP1AURKARPS6KB1KDR | |
| SCHEMBL5622271 | 0.84 | PARP1 (0.67) | PARP1AURKAAURKB | |
| SCHEMBL5621641 | 0.83 | PARP1 (0.61) | PARP1AURKAAURKB | |
| SCHEMBL5621588 | 0.83 | PARP1 (0.77) | PARP1PARP2 | |
| SCHEMBL5622425 | 0.82 | PARP1 (0.64) | PARP1AURKAAURKB |
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 |
|---|---|---|---|---|---|---|---|
| US-RE39608-E1 | Substituted benzimidazoles and their use as PARP inhibitors | ABBOTT GMBH & CO. KG (DE) | 2007-05-01 | — | — | US | disclosed |
| US-6448271-B1 | SUCH AS 2-(PIPERIDIN-4-YL)BENZIMIDAZOLE-4-CARBOXAMIDE; INHIBITORS OF ENZYME POLY(ADP-RIBOSE)POLYMERASE; IMPROVED WATER SOLUBILITY | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-10 | — | — | US | disclosed |