Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29491137 | 0.86 | NOS3 (0.35) | TDO2NOS3NOS2HRH4 | |
| SCHEMBL9777733 | 0.86 | NOS3 (0.35) | TDO2NOS3NOS2HRH4 | |
| SCHEMBL25665327 | 0.81 | NOS3 (0.32) | NOS3NOS2 | |
| SCHEMBL29663648 | 0.81 | NOS3 (0.32) | NOS3NOS2 | |
| SCHEMBL24246883 | 0.78 | KRAS (0.35) | TDO2 | |
| SCHEMBL29778866 | 0.76 | NOS3 (0.39) | NOS3NOS2 | |
| SCHEMBL23131810 | 0.76 | NOS3 (0.34) | NOS3NOS2 | |
| SCHEMBL22836874 | 0.76 | NOS3 (0.34) | TDO2NOS3NOS2 | |
| SCHEMBL23326008 | 0.76 | NOS3 (0.39) | NOS3NOS2 | |
| SCHEMBL31569347 | 0.75 | NOS2 (0.46) | NOS3NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574199-B | Heterocyclic compounds as Kras-G12C inhibitors | 首药控股(北京)股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-112574199-A | Heterocyclic compounds as Kras-G12C inhibitors | 首药控股(北京)股份有限公司 | 2021-03-30 | — | — | CN | disclosed |