Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 13/20 | 0.74 |
| ▸ | NOS1 | P29475 | 13/20 | 0.74 |
| ▸ | NOS2 | P35228 | 13/20 | 0.74 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 4/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137654 | 0.89 | NOS3 (0.68) | NOS3NOS1NOS2EHMT2MAOB | |
| SCHEMBL6137722 | 0.86 | NOS3 (0.74) | NOS3NOS1NOS2EHMT2 | |
| SCHEMBL6137334 | 0.85 | NOS3 (0.72) | NOS3NOS1NOS2 | |
| SCHEMBL6137320 | 0.85 | NOS3 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6137760 | 0.84 | NOS3 (0.67) | NOS3NOS1NOS2EHMT2MAOB | |
| SCHEMBL6137342 | 0.83 | NOS3 (0.69) | NOS3NOS1NOS2MAOBMAOA | |
| SCHEMBL6137675 | 0.82 | NOS3 (0.67) | NOS3NOS1NOS2 | |
| SCHEMBL6137311 | 0.81 | NOS1 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6137735 | 0.80 | NOS3 (0.65) | NOS3NOS1NOS2 | |
| SCHEMBL6137403 | 0.70 | NOS3 (1.00) | 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 |