Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 12/20 | 1.00 |
| ▸ | NOS1 | P29475 | 12/20 | 1.00 |
| ▸ | NOS2 | P35228 | 11/20 | 1.00 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6137653 | 0.99 | NOS1 (0.98) | NOS3NOS1NOS2CHRM2CYP1A2 | |
| SCHEMBL6137346 | 0.79 | NOS3 (0.66) | NOS3NOS1NOS2CHRM2CYP1A2 | |
| Hydrochloric Acid SCHEMBL7174141 | 0.78 | NOS3 (0.64) | NOS3NOS1NOS2 | |
| SCHEMBL6137320 | 0.72 | NOS3 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6561325 | 0.71 | NOS1 (0.98) | NOS3NOS1NOS2CHRM2CYP1A2 | |
| Hydrochloric Acid SCHEMBL6069276 | 0.71 | NOS1 (1.00) | NOS3NOS1NOS2CHRM2CYP1A2 | |
| SCHEMBL6137615 | 0.69 | NOS3 (0.68) | NOS3NOS1NOS2 | |
| SCHEMBL6137654 | 0.69 | NOS3 (0.68) | NOS3NOS1NOS2 | |
| SCHEMBL6137311 | 0.68 | NOS1 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6561433 | 0.67 | NOS1 (0.98) | NOS3NOS1NOS2 |
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 | claimed |
| EP-1129077-B1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AG (DE) | 2005-04-20 | — | — | EP | claimed |