Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 9/20 | 0.38 |
| ▸ | NOS2 | P35228 | 9/20 | 0.38 |
| ▸ | NOS3 | P29474 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29634330 | 0.95 | NOS1 (0.35) | NOS1NOS2NOS3 | |
| SCHEMBL29634235 | 0.87 | NOS2 (0.37) | NOS1NOS2NOS3 | |
| SCHEMBL23350448 | 0.79 | — | — | |
| SCHEMBL13461162 | 0.77 | PPARG (0.36) | CYP1A2GRM2EPHX1PPARGALDH1A1 | |
| SCHEMBL14036797 | 0.75 | EPHX1 (0.33) | CYP1A2EPHX1PPARGALDH1A1 | |
| SCHEMBL13461200 | 0.74 | GRM2 (0.39) | NOS1NOS2NOS3GRM2ALDH1A1 | |
| SCHEMBL14616077 | 0.73 | — | — | |
| SCHEMBL12510874 | 0.71 | GBA1 (0.40) | PPARGALDH1A1 | |
| SCHEMBL12511078 | 0.71 | GBA1 (0.40) | PPARGALDH1A1 | |
| SCHEMBL24521825 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112442022-B | Benzoxazine-4-ketone compound, preparation method and medical application thereof | 承德医学院 | 2022-05-20 | — | — | CN | disclosed |