Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 20/20 | 0.81 |
| ▸ | VHL | P40337 | 1/20 | 0.65 |
| ▸ | CDK7 | P50613 | 1/20 | 0.65 |
| ▸ | CCNH | P51946 | 1/20 | 0.65 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.65 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL23979693 | 1.00 | KRAS (0.81) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23979705 | 1.00 | KRAS (0.81) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23980275 | 0.96 | KRAS (0.81) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL30421637 | 0.93 | KRAS (0.83) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23980263 | 0.93 | KRAS (0.84) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23979562 | 0.92 | KRAS (0.82) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23980664 | 0.91 | KRAS (0.79) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23980656 | 0.91 | KRAS (0.79) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23979638 | 0.91 | KRAS (0.80) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23979618 | 0.91 | KRAS (0.80) | KRASVHLCDK7CCNHMNAT1 |
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 |