Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | DTYMK | P23919 | 1/20 | 0.33 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137719 | 0.85 | NOS3 (0.41) | NOS3NOS1NOS2HRH3CASP1 | |
| SCHEMBL6137319 | 0.85 | HRH3 (0.37) | PDE4APDE4BPDE4CPDE4DHRH3 | |
| SCHEMBL6137657 | 0.84 | NOS3 (0.41) | BCHENOS3NOS1NOS2HRH3 | |
| SCHEMBL6137757 | 0.81 | GPR119 (0.41) | GPR119MEN1KMT2A | |
| SCHEMBL6137770 | 0.77 | NOS3 (0.35) | PDE4APDE4BPDE4CPDE4DNOS3 | |
| SCHEMBL6137628 | 0.76 | NOS3 (0.34) | PDE4APDE4BPDE4CPDE4DNOS3 | |
| SCHEMBL6137592 | 0.72 | BCHE (0.47) | BCHEKDM1AGPR119DDB1CRBN | |
| SCHEMBL30681524 | 0.70 | BCHE (0.48) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL21912451 | 0.70 | BCHE (0.48) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL8401634 | 0.70 | BCHE (0.50) | BCHEKDM1AGPR119DDB1CRBN |
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 |