Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137628 | 0.95 | NOS3 (0.34) | NOS3NOS1NOS2PDE4APDE4B | |
| SCHEMBL6137497 | 0.89 | NOS3 (0.33) | NOS3NOS1NOS2 | |
| SCHEMBL6137679 | 0.85 | NOS3 (0.33) | NOS3NOS1NOS2 | |
| SCHEMBL6137578 | 0.79 | FKBP1A (0.33) | PDE4APDE4BPDE4CPDE4DCNR1 | |
| SCHEMBL6137766 | 0.77 | BCHE (0.41) | NOS3NOS1NOS2PDE4APDE4B | |
| SCHEMBL6137757 | 0.75 | GPR119 (0.41) | — | |
| SCHEMBL6137535 | 0.74 | FKBP1A (0.32) | PDE4APDE4BPDE4CPDE4DCNR1 | |
| SCHEMBL6137719 | 0.74 | NOS3 (0.41) | NOS3NOS1NOS2CNR1CNR2 | |
| SCHEMBL6137319 | 0.74 | HRH3 (0.37) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6137657 | 0.73 | NOS3 (0.41) | NOS3NOS1NOS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129077-B9 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AG (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1129077-B1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AG (DE) | 2005-04-20 | — | — | EP | disclosed |
| US-6579883-B1 | Nitrogen monoxide synthases; 4-amino-8-bromo-3a-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta (c) quinoline; neurodegenerative, autoimmune, cardiovascular diseases | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-06-17 | — | — | US | disclosed |