Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.55 |
| ▸ | NOS1 | P29475 | 3/20 | 0.55 |
| ▸ | NOS2 | P35228 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SLC8B1 | Q6J4K2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 4/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137624 | 0.83 | NOS3 (0.52) | NOS3NOS1NOS2MAPTTP53 | |
| SCHEMBL6137467 | 0.83 | POLB (0.43) | NOS3NOS1NOS2MAPTTP53 | |
| SCHEMBL6137634 | 0.80 | NOS3 (0.48) | NOS3NOS1NOS2MEN1KMT2A | |
| SCHEMBL7171088 | 0.72 | HTT (0.37) | NOS3NOS1NOS2CYP1A2CYP2C9 | |
| SCHEMBL6137774 | 0.72 | NOS3 (0.39) | NOS3NOS1NOS2CYP2C19 | |
| SCHEMBL6137320 | 0.71 | NOS3 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6137525 | 0.70 | NOS3 (0.41) | NOS3NOS1NOS2CYP2C19 | |
| SCHEMBL6137662 | 0.69 | NOS3 (0.34) | NOS3NOS1NOS2MAPTTP53 | |
| SCHEMBL6137625 | 0.69 | NOS3 (0.40) | NOS3NOS1NOS2CHEK1 | |
| SCHEMBL6137677 | 0.68 | TDP2 (0.39) | NOS3NOS1NOS2RECQLPGR |
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 |