Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620452 | 0.96 | PARP1 (0.56) | PARP1PARP2AURKAAURKB | |
| SCHEMBL7700394 | 0.91 | PARP1 (0.56) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5621049 | 0.90 | PARP1 (0.55) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5621052 | 0.90 | PARP1 (0.55) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5621426 | 0.90 | PARP1 (0.55) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5620348 | 0.89 | PARP1 (0.57) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL7700441 | 0.88 | PARP1 (0.58) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5620118 | 0.88 | PARP1 (0.57) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL7040708 | 0.87 | ALDH1A1 (0.39) | PARP1ALDH1A1NPSR1 | |
| SCHEMBL5620947 | 0.87 | PARP1 (0.52) | PARP1PARP2AURKAAURKBALDH1A1 |
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 |