Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | KRAS | P01116 | 7/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29903142 | 0.80 | KRAS (0.71) | KRAS | |
| SCHEMBL26724918 | 0.79 | KRAS (0.68) | KRAS | |
| SCHEMBL29634820 | 0.77 | KRAS (0.53) | KRAS | |
| SCHEMBL6017058 | 0.73 | CHRNB4 (0.49) | — | |
| SCHEMBL25779950 | 0.72 | CHRNB1 (0.43) | NOS3NOS1NOS2KRAS | |
| SCHEMBL9245008 | 0.71 | CHRNB4 (0.64) | — | |
| SCHEMBL9245004 | 0.71 | CHRNB4 (0.64) | — | |
| SCHEMBL31423841 | 0.70 | KRAS (0.48) | NOS3NOS1NOS2KRAS | |
| Hydrochloric Acid SCHEMBL9241700 | 0.70 | CHRNB4 (0.63) | — | |
| Hydrochloric Acid SCHEMBL9241706 | 0.70 | CHRNB4 (0.63) | — |
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-2024063576-A1 | NOVEL QUINAZOLINE COMPOUND AS KRAS INHIBITOR | 일동제약(주) | 2024-03-28 | — | — | WO | disclosed |