Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 4/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7106768 | 0.97 | PARP1 (0.47) | PARP1KCNH2KCNJ1ADRA1DADRA1A | |
| SCHEMBL6871167 | 0.89 | PARP1 (0.43) | PARP1HTR1A | |
| SCHEMBL6872714 | 0.89 | PARP1 (0.47) | PARP1HTR1AHTR2A | |
| SCHEMBL6875540 | 0.88 | PARP1 (0.42) | PARP1ADRA1DADRA1AADRA1B | |
| SCHEMBL6869611 | 0.88 | PARP1 (0.43) | PARP1ADRA1DADRA1AADRA1B | |
| SCHEMBL6864442 | 0.88 | PARP1 (0.42) | PARP1HTR1AHTR2A | |
| SCHEMBL6871454 | 0.88 | PARP1 (0.42) | PARP1ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL5621936 | 0.87 | PARP1 (0.65) | PARP1 | |
| SCHEMBL6875052 | 0.86 | PARP1 (0.49) | PARP1KCNH2KCNJ1ADRA1DADRA1A | |
| SCHEMBL6872890 | 0.86 | 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 |