Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 3/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | MET | P08581 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29854857 | 1.00 | NOS3 (0.47) | NOS3NOS1NOS2FEN1ALOX5AP | |
| SCHEMBL28811304 | 0.83 | NOS3 (0.53) | NOS3NOS1NOS2FEN1ALOX5AP | |
| SCHEMBL13635718 | 0.80 | NOS3 (0.50) | NOS3NOS1NOS2FEN1ALOX5AP | |
| SCHEMBL30635200 | 0.78 | GRM5 (0.50) | CYP3A4CYP1A2CYP2C9GRM5SLC6A3 | |
| SCHEMBL14005414 | 0.77 | NOS3 (0.47) | NOS3NOS1NOS2FEN1ALOX5AP | |
| SCHEMBL6931821 | 0.77 | LMNA (0.65) | NOS3NOS1NOS2GRM5 | |
| SCHEMBL28810836 | 0.75 | NOS3 (0.49) | NOS3NOS1NOS2FEN1ALOX5AP | |
| SCHEMBL4648395 | 0.75 | NOS3 (0.52) | NOS3NOS1NOS2FEN1ALOX5AP | |
| SCHEMBL28811293 | 0.75 | NOS3 (0.52) | NOS3NOS1NOS2FEN1ALOX5AP | |
| SCHEMBL29860750 | 0.75 | NOS3 (0.52) | NOS3NOS1NOS2FEN1ALOX5AP |
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-114901280-A | MrgprX2 antagonists and uses thereof | 德米拉公司 | 2022-08-12 | — | — | CN | disclosed |