Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 20/20 | 0.49 |
| ▸ | VHL | P40337 | 1/20 | 0.44 |
| ▸ | CDK7 | P50613 | 1/20 | 0.44 |
| ▸ | CCNH | P51946 | 1/20 | 0.44 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.44 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28692005 | 0.85 | KRAS (0.55) | KRAS | |
| SCHEMBL28692003 | 0.85 | KRAS (0.55) | KRAS | |
| SCHEMBL22720289 | 0.83 | KRAS (0.40) | KRASSOS1 | |
| SCHEMBL22720275 | 0.82 | KRAS (0.43) | KRASSOS1 | |
| SCHEMBL22720273 | 0.80 | KRAS (0.52) | KRAS | |
| SCHEMBL22724649 | 0.80 | KRAS (0.52) | KRAS | |
| SCHEMBL25349824 | 0.78 | KRAS (0.47) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL25349832 | 0.78 | KRAS (0.47) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL21722155 | 0.78 | KRAS (0.52) | KRAS | |
| SCHEMBL22720270 | 0.77 | KRAS (0.37) | KRASSOS1 |
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-2020239123-A1 | AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2020-12-03 | — | — | WO | disclosed |