Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9589739 | 0.91 | AGTR2 (0.61) | PDE4APDE4BPDE4CPDE4DAGTR2 | |
| SCHEMBL9591295 | 0.89 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9592828 | 0.85 | AGTR2 (0.49) | PDE4APDE4BPDE4CPDE4DAGTR2 | |
| SCHEMBL9590892 | 0.85 | NPC1 (0.53) | AGTR2 | |
| SCHEMBL9592331 | 0.84 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9593697 | 0.83 | — | — | |
| SCHEMBL9592983 | 0.83 | AGTR2 (0.49) | PDE4APDE4BPDE4CPDE4DAGTR2 | |
| Water SCHEMBL9089678 | 0.81 | AGTR1 (0.60) | AGTR2 | |
| SCHEMBL9593162 | 0.81 | AGTR2 (0.55) | PDE4APDE4BPDE4CPDE4DAGTR2 | |
| SCHEMBL9593306 | 0.81 | AGTR2 (0.46) | PDE4APDE4BPDE4CPDE4DAGTR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5264439-A | Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element | MERCK & CO., INC. (US) | 1993-11-23 | — | — | US | disclosed |