Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 4/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7115606 | 0.97 | PARP1 (0.49) | PARP1KCNH2KCNJ1ADRA1DADRA1A | |
| SCHEMBL6870125 | 0.90 | PARP1 (0.44) | PARP1 | |
| SCHEMBL6869630 | 0.90 | PARP1 (0.41) | PARP1KCNH2HRH3 | |
| SCHEMBL6869177 | 0.89 | PARP1 (0.41) | PARP1HRH3 | |
| SCHEMBL6870272 | 0.89 | PARP1 (0.40) | PARP1ADRA1DADRA1AADRA1BHRH3 | |
| SCHEMBL6864807 | 0.89 | PARP1 (0.40) | PARP1 | |
| SCHEMBL6871574 | 0.89 | PARP1 (0.40) | PARP1KCNH2HRH3 | |
| SCHEMBL5621674 | 0.88 | PARP1 (0.61) | PARP1 | |
| SCHEMBL6871608 | 0.87 | PARP1 (0.47) | PARP1KCNH2KCNJ1ADRA1DADRA1A | |
| SCHEMBL7043428 | 0.87 | PARP1 (0.41) | 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 |