Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 11/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL7045004 | 0.96 | PIM1 (0.38) | KCNH2HRH4HRH3PARP1HTR3A | |
| SCHEMBL7037681 | 0.84 | HTR3A (0.39) | PARP1HTR3ANAMPT | |
| SCHEMBL7043691 | 0.83 | HTR3A (0.39) | PARP1HTR3ATP53NAMPT | |
| SCHEMBL5622568 | 0.83 | PARP1 (0.50) | PARP1 | |
| SCHEMBL7045539 | 0.81 | CHRNB2 (0.40) | HRH4PARP1HTR3A | |
| SCHEMBL7042860 | 0.80 | PIM1 (0.41) | HRH4PARP1HTR3ANAMPT | |
| SCHEMBL5620205 | 0.80 | PARP1 (0.47) | PARP1 | |
| SCHEMBL7039844 | 0.80 | CHRNB2 (0.42) | HRH4PARP1HTR3ATP53NAMPT | |
| SCHEMBL7041756 | 0.80 | CHRNB2 (0.43) | HRH4PARP1HTR3A | |
| SCHEMBL6869623 | 0.78 | PARP1 (0.49) | PARP1HTR3AHTR6NAMPT |
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 |