Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6875504 | 0.97 | PARP1 (0.43) | PARP1ABCC1CYP3A4 | |
| SCHEMBL6871608 | 0.91 | PARP1 (0.47) | PARP1DRD2 | |
| SCHEMBL6869177 | 0.91 | PARP1 (0.41) | PARP1 | |
| SCHEMBL6869630 | 0.90 | PARP1 (0.41) | PARP1ABCC1CYP3A4 | |
| SCHEMBL6870125 | 0.90 | PARP1 (0.44) | PARP1ABCC1CYP3A4 | |
| SCHEMBL6864807 | 0.89 | PARP1 (0.40) | PARP1ABCC1CYP3A4DRD2DRD3 | |
| SCHEMBL6871574 | 0.89 | PARP1 (0.40) | PARP1ABCC1CYP3A4 | |
| SCHEMBL6870272 | 0.89 | PARP1 (0.40) | PARP1ABCC1CYP3A4 | |
| SCHEMBL6875539 | 0.88 | PARP1 (0.39) | PARP1DRD2DRD4DRD3 | |
| SCHEMBL5621202 | 0.88 | PARP1 (0.54) | PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |