Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137497 | 0.96 | NOS3 (0.33) | NOS3NOS1NOS2BCHE | |
| SCHEMBL6137628 | 0.90 | NOS3 (0.34) | NOS3NOS1NOS2 | |
| SCHEMBL6137770 | 0.85 | NOS3 (0.35) | NOS3NOS1NOS2 | |
| SCHEMBL6137535 | 0.70 | FKBP1A (0.32) | FKBP1A | |
| SCHEMBL6137578 | 0.64 | FKBP1A (0.33) | FKBP1A | |
| SCHEMBL6137379 | 0.63 | DUT (0.35) | — | |
| SCHEMBL6137657 | 0.61 | NOS3 (0.41) | NOS3NOS1NOS2BCHE | |
| SCHEMBL21069039 | 0.58 | PPARA (0.45) | — | |
| SCHEMBL14183641 | 0.58 | KCNH2 (0.42) | — | |
| SCHEMBL3168839 | 0.57 | GABRA1 (0.47) | — |
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 2 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 |