Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 19/20 | 0.79 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL30047390 | 1.00 | KRAS (0.79) | KRASMAPK3MAPK1 | |
| SCHEMBL28906459 | 0.93 | KRAS (0.67) | KRASMAPK3MAPK1 | |
| SCHEMBL25136994 | 0.93 | KRAS (0.81) | KRASMAPK3MAPK1 | |
| SCHEMBL28906572 | 0.93 | KRAS (0.81) | KRASMAPK3MAPK1 | |
| SCHEMBL25137026 | 0.93 | KRAS (0.81) | KRASMAPK3MAPK1 | |
| SCHEMBL28906566 | 0.93 | KRAS (0.82) | KRASMAPK3MAPK1 | |
| SCHEMBL25136891 | 0.90 | KRAS (0.78) | KRASMAPK3MAPK1 | |
| SCHEMBL24761650 | 0.89 | KRAS (0.84) | KRASMAPK3MAPK1 | |
| SCHEMBL23053261 | 0.88 | KRAS (1.00) | KRAS | |
| SCHEMBL30249985 | 0.88 | KRAS (1.00) | KRAS |
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-115304623-A | Pyrimido-cyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2022-11-08 | — | — | CN | disclosed |