Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA4 | P22748 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22970049 | 1.00 | CA1 (0.33) | CA1CA2CA4CA9 | |
| SCHEMBL24543364 | 0.85 | KRAS (0.38) | CA1CA2CA4CA9 | |
| SCHEMBL22969929 | 0.84 | — | — | |
| SCHEMBL22970047 | 0.84 | — | — | |
| SCHEMBL23556306 | 0.84 | KRAS (0.37) | — | |
| SCHEMBL23556307 | 0.84 | KRAS (0.37) | — | |
| SCHEMBL22970008 | 0.84 | KRAS (0.37) | — | |
| SCHEMBL23848394 | 0.83 | JAK3 (0.33) | CA1CA2CA4CA9 | |
| SCHEMBL22969920 | 0.83 | JAK3 (0.33) | CA1CA2CA4CA9 | |
| SCHEMBL22967692 | 0.82 | — | — |
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-2021023247-A1 | KRAS MUTANT PROTEIN INHIBITOR | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-02-11 | — | — | WO | disclosed |