Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 19/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21846414 | 0.94 | KRAS (0.56) | KRAS | |
| SCHEMBL23980403 | 0.91 | KRAS (0.49) | KRAS | |
| SCHEMBL21846301 | 0.91 | KRAS (0.55) | KRAS | |
| SCHEMBL26016803 | 0.90 | KRAS (0.54) | KRAS | |
| SCHEMBL23979636 | 0.87 | KRAS (0.63) | KRAS | |
| SCHEMBL25020042 | 0.85 | KRAS (0.48) | KRASALDH1A1HTT | |
| SCHEMBL25020030 | 0.85 | KRAS (0.56) | KRAS | |
| SCHEMBL24321168 | 0.84 | KRAS (0.56) | KRAS | |
| SCHEMBL22010709 | 0.84 | KRAS (0.47) | KRAS | |
| SCHEMBL22010602 | 0.84 | KRAS (0.47) | KRASALDH1A1HTT |
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-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |