Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.52 |
| ▸ | NOS1 | P29475 | 5/20 | 0.52 |
| ▸ | NOS2 | P35228 | 5/20 | 0.52 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137325 | 0.83 | NOS3 (0.52) | NOS3NOS1NOS2PDE7ACHRNB2 | |
| SCHEMBL6137634 | 0.78 | NOS3 (0.48) | NOS3NOS1NOS2OPRL1OPRM1 | |
| SCHEMBL6137403 | 0.69 | NOS3 (1.00) | NOS3NOS1NOS2HTR2CHTR2B | |
| SCHEMBL7171102 | 0.69 | NOS3 (0.59) | NOS3NOS1NOS2GAA | |
| SCHEMBL6137774 | 0.68 | NOS3 (0.39) | NOS3NOS1NOS2DDB1CRBN | |
| SCHEMBL6137467 | 0.68 | POLB (0.43) | NOS3NOS1NOS2TP53CA12 | |
| SCHEMBL6137746 | 0.68 | NOS3 (0.55) | NOS3NOS1NOS2PDE7ATP53 | |
| SCHEMBL6137659 | 0.67 | NOS3 (0.44) | NOS3NOS1NOS2PDE7APDK2 | |
| SCHEMBL6137677 | 0.66 | TDP2 (0.39) | NOS3NOS1NOS2SRD5A1 | |
| SCHEMBL6137525 | 0.66 | 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 5 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 |
| EP-1129077-A1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029381-A1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-05-25 | — | — | WO | disclosed |