Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.39 |
| ▸ | NOS1 | P29475 | 6/20 | 0.39 |
| ▸ | NOS2 | P35228 | 6/20 | 0.39 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6137525 | 0.90 | NOS3 (0.41) | NOS3NOS1NOS2POLBCYP3A4 | |
| SCHEMBL7171088 | 0.80 | HTT (0.37) | NOS3NOS1NOS2IP6K1POLB | |
| SCHEMBL7180340 | 0.79 | NOS3 (0.32) | NOS3NOS1NOS2 | |
| SCHEMBL6137662 | 0.77 | NOS3 (0.34) | NOS3NOS1NOS2CYP3A4 | |
| SCHEMBL6137634 | 0.76 | NOS3 (0.48) | NOS3NOS1NOS2DDB1CRBN | |
| SCHEMBL6137714 | 0.75 | NOS3 (0.40) | NOS3NOS1NOS2HPGD | |
| SCHEMBL6137346 | 0.73 | NOS3 (0.66) | NOS3NOS1NOS2CYP3A4CYP2C19 | |
| SCHEMBL6137677 | 0.72 | TDP2 (0.39) | NOS3NOS1NOS2 | |
| SCHEMBL6137746 | 0.72 | NOS3 (0.55) | NOS3NOS1NOS2CYP2C19 | |
| SCHEMBL6137467 | 0.72 | POLB (0.43) | NOS3NOS1NOS2POLBCYP3A4 |
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 |