Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | AOC1 | P19801 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL7126030 | 0.73 | NOS3 (0.39) | NOS3NOS1NOS2AOC3 | |
| SCHEMBL7124851 | 0.71 | NOS3 (0.38) | NOS3NOS1NOS2 | |
| SCHEMBL15109313 | 0.70 | NOS3 (0.36) | NOS3NOS1NOS2 | |
| SCHEMBL14493554 | 0.70 | NOS3 (0.36) | NOS3NOS1NOS2 | |
| SCHEMBL18125581 | 0.70 | NOS3 (0.45) | NOS3NOS1NOS2 | |
| SCHEMBL20326527 | 0.69 | NOS3 (0.38) | NOS3NOS1NOS2AOC3 | |
| SCHEMBL2868352 | 0.68 | SCN5A (0.50) | KCNH2SCN5A | |
| SCHEMBL23872809 | 0.67 | NOS3 (0.34) | NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL2868350 | 0.67 | PTGS2 (0.49) | KCNH2SCN5A | |
| SCHEMBL21718967 | 0.67 | NOS3 (0.34) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |