Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 18/20 | 0.40 |
| ▸ | VHL | P40337 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | CCNH | P51946 | 1/20 | 0.39 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27230441 | 1.00 | KRAS (0.40) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL27210008 | 1.00 | KRAS (0.40) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL21315017 | 0.89 | KRAS (0.37) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL21315015 | 0.89 | KRAS (0.37) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23827647 | 0.88 | MTOR (0.37) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL28504722 | 0.88 | MTOR (0.38) | KRASMTORNR1H2NR1H3 | |
| SCHEMBL19948615 | 0.88 | PARP1 (0.46) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL22969844 | 0.87 | KRAS (0.40) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL19948470 | 0.87 | MTOR (0.37) | KRASMTORNR1H2NR1H3 | |
| SCHEMBL19948468 | 0.87 | MTOR (0.37) | KRASMTORNR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116478184-A | KRAS inhibitor and preparation method and application thereof | 上海华汇拓医药科技有限公司 | 2023-07-25 | — | — | CN | disclosed |