Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041865 | 0.91 | PARP1 (0.43) | PARP1HRH1SCN9ADRD2HTR2A | |
| SCHEMBL7042328 | 0.91 | PARP1 (0.43) | PARP1SCN9ADRD2HTR2ATLR8 | |
| SCHEMBL7045984 | 0.91 | PARP1 (0.44) | PARP1SCN9ADRD2HTR2ATLR8 | |
| SCHEMBL7044630 | 0.89 | PARP1 (0.41) | PARP1HRH1SCN9ADRD2HTR2A | |
| SCHEMBL7045077 | 0.89 | PARP1 (0.44) | PARP1SCN9ADRD2HTR2ADRD1 | |
| SCHEMBL5621981 | 0.87 | PARP1 (0.55) | PARP1HCRTR1HCRTR2HTR1A | |
| SCHEMBL7041326 | 0.86 | PARP1 (0.43) | PARP1SCN9ADRD2HTR2ACYP2D6 | |
| SCHEMBL7042083 | 0.84 | PARP1 (0.56) | PARP1HRH1DRD2 | |
| SCHEMBL7044473 | 0.84 | PARP1 (0.43) | PARP1SCN9ADRD2HTR2ADRD1 | |
| SCHEMBL7045627 | 0.84 | PARP1 (0.50) | PARP1HRH1DRD2CYP2D6KCNH2 |
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 |