Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 18/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL25688767 | 0.86 | PDE5A (0.57) | PDE5AADORA3KCNH2 | |
| SCHEMBL15087495 | 0.86 | PDE5A (0.57) | PDE5AADORA3KCNH2 | |
| SCHEMBL174574 | 0.86 | PDE5A (0.62) | PDE5AADORA3KCNH2 | |
| SCHEMBL175137 | 0.85 | PDE5A (0.61) | PDE5AADORA3KCNH2 | |
| SCHEMBL174495 | 0.85 | ADORA3 (0.61) | PDE5AADORA3KCNH2 | |
| SCHEMBL18496415 | 0.84 | PDE5A (0.59) | PDE5AADORA3KCNH2 | |
| SCHEMBL174870 | 0.84 | PDE5A (0.58) | PDE5AADORA3KCNH2 | |
| SCHEMBL174575 | 0.84 | PDE5A (0.58) | PDE5AADORA3KCNH2 | |
| SCHEMBL27557251 | 0.83 | ADORA3 (0.60) | PDE5AADORA3KCNH2 | |
| SCHEMBL7835258 | 0.83 | ADORA3 (0.65) | PDE5AADORA3KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944631-B1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES | BAYER HEALTHCARE AG (DE) | 2004-02-18 | — | — | EP | disclosed |
| US-6451805-B1 | Substituted pyrazole derivatives for the treatment of cardiocirculatory diseases | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-17 | — | — | US | disclosed |
| EP-0944631-A1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES | BAYER AG (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023619-A1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-04 | — | — | WO | disclosed |