Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 18/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942111 | 0.93 | NOS2 (0.74) | NOS2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6940200 | 0.92 | NOS2 (0.73) | NOS2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6942859 | 0.85 | NOS2 (0.73) | NOS2 | |
| SCHEMBL6946779 | 0.82 | NOS2 (0.61) | NOS2 | |
| SCHEMBL6940389 | 0.77 | NOS2 (0.61) | NOS2 | |
| SCHEMBL6939922 | 0.76 | NOS2 (0.59) | NOS2 | |
| SCHEMBL6940290 | 0.74 | NOS2 (0.57) | NOS2 | |
| SCHEMBL6941877 | 0.74 | NOS2 (0.54) | NOS2NOS1 | |
| SCHEMBL6939629 | 0.74 | NOS2 (0.55) | NOS2 | |
| SCHEMBL6944316 | 0.74 | NOS2 (0.58) | NOS2CYP1A2CYP3A4CYP2D6CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268471-B1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | SCHERING AG (DE) | 2003-10-15 | — | — | EP | disclosed |