Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 19/20 | 0.61 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5621160 | 0.96 | PARP1 (0.57) | PARP1AURKB | |
| SCHEMBL5620669 | 0.91 | PARP1 (0.60) | PARP1 | |
| SCHEMBL5620210 | 0.91 | PARP1 (0.60) | PARP1AURKAAURKB | |
| SCHEMBL5622425 | 0.91 | PARP1 (0.64) | PARP1AURKAAURKB | |
| SCHEMBL5622430 | 0.91 | PARP1 (0.60) | PARP1AURKAAURKB | |
| SCHEMBL5621272 | 0.91 | PARP1 (0.60) | PARP1AURKAAURKB | |
| SCHEMBL5621936 | 0.89 | PARP1 (0.65) | PARP1 | |
| SCHEMBL5620610 | 0.88 | PARP1 (0.57) | PARP1AURKAAURKB | |
| SCHEMBL5621718 | 0.88 | PARP1 (0.58) | PARP1 | |
| SCHEMBL5621351 | 0.88 | PARP1 (0.66) | 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 |