Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 5/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | EPHA2 | P29317 | 7/20 | 0.32 |
| ▸ | KDR | P35968 | 5/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 5/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18084612 | 0.84 | HRH3 (0.44) | HRH3PDK1IRAK4SLC6A2EPHA2 | |
| SCHEMBL24731127 | 0.84 | HRH3 (0.44) | HRH3PDK1IRAK4SLC6A2EPHA2 | |
| SCHEMBL24730381 | 0.84 | HRH3 (0.44) | HRH3PDK1IRAK4SLC6A2EPHA2 | |
| SCHEMBL15732028 | 0.80 | HRH3 (0.46) | HRH3PDK1IRAK4SLC6A2EPHA2 | |
| SCHEMBL3436781 | 0.78 | PDK1 (0.56) | HRH3PDK1SLC6A2EPHA2KDR | |
| SCHEMBL7925158 | 0.78 | PDK1 (0.56) | HRH3PDK1SLC6A2EPHA2KDR | |
| SCHEMBL12210937 | 0.78 | PDK1 (0.56) | HRH3PDK1SLC6A2EPHA2KDR | |
| SCHEMBL25670128 | 0.77 | HRH3 (0.46) | HRH3PDK1IRAK4SLC6A2EPHA2 | |
| SCHEMBL18773644 | 0.77 | HRH3 (0.46) | HRH3PDK1IRAK4SLC6A2EPHA2 | |
| SCHEMBL25670134 | 0.77 | HRH3 (0.46) | HRH3PDK1IRAK4SLC6A2EPHA2 |
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 |