Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.35 |
| ▸ | GHSR | Q92847 | 4/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.32 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7175631 | 0.92 | NOS3 (0.40) | NOS3NOS1NOS2HTR4GHSR | |
| SCHEMBL6137680 | 0.84 | NOS3 (0.61) | NOS3NOS1NOS2HTR4GHSR | |
| SCHEMBL6137346 | 0.76 | NOS3 (0.66) | NOS3NOS1NOS2HDAC1 | |
| SCHEMBL6069723 | 0.76 | GHSR (0.37) | NOS3NOS1NOS2GHSRHDAC1 | |
| SCHEMBL6069728 | 0.75 | GHSR (0.40) | NOS3NOS1NOS2GHSRHDAC1 | |
| SCHEMBL6137714 | 0.74 | NOS3 (0.40) | NOS3NOS1NOS2 | |
| SCHEMBL6137625 | 0.73 | NOS3 (0.40) | NOS3NOS1NOS2 | |
| SCHEMBL6069793 | 0.72 | GHSR (0.39) | NOS3NOS1NOS2GHSRHDAC1 | |
| SCHEMBL6137660 | 0.72 | NOS3 (0.39) | NOS3NOS1NOS2 | |
| SCHEMBL6069643 | 0.71 | GHSR (0.36) | NOS3NOS1NOS2GHSRHDAC1 |
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 |