Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 10/20 | 0.61 |
| ▸ | NOS1 | P29475 | 10/20 | 0.61 |
| ▸ | NOS2 | P35228 | 10/20 | 0.61 |
| ▸ | HTR4 | Q13639 | 4/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 3/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6137765 | 0.84 | NOS3 (0.40) | NOS3NOS1NOS2HTR4CPB2 | |
| SCHEMBL7175631 | 0.83 | NOS3 (0.40) | NOS3NOS1NOS2HTR4CPB2 | |
| SCHEMBL6069204 | 0.78 | NOS3 (0.56) | NOS3NOS1NOS2GHSRGRM2 | |
| SCHEMBL6139875 | 0.76 | NOS3 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6069478 | 0.74 | NOS3 (0.59) | NOS3NOS1NOS2GHSR | |
| SCHEMBL6069538 | 0.71 | NOS3 (0.57) | NOS3NOS1NOS2GHSR | |
| SCHEMBL16468452 | 0.70 | AOC3 (0.44) | GRM2GRM3 | |
| SCHEMBL7704970 | 0.70 | NOS3 (0.34) | NOS3NOS1NOS2GHSRHTR2A | |
| SCHEMBL2262829 | 0.69 | RIPK1 (0.47) | — | |
| SCHEMBL18994886 | 0.69 | HDAC1 (0.41) | HTR4GRM2GRM3 |
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 |