Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 20/20 | 0.63 |
| ▸ | VHL | P40337 | 1/20 | 0.52 |
| ▸ | CDK7 | P50613 | 1/20 | 0.52 |
| ▸ | CCNH | P51946 | 1/20 | 0.52 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.52 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28589217 | 1.00 | KRAS (0.63) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL20974882 | 0.95 | KRAS (0.66) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL30188614 | 0.95 | KRAS (0.66) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL28489112 | 0.95 | KRAS (0.66) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL19948821 | 0.95 | KRAS (0.66) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL30302293 | 0.95 | KRAS (0.66) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL29246170 | 0.90 | KRAS (0.59) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL19964299 | 0.87 | KRAS (0.58) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL19964316 | 0.87 | KRAS (0.58) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL19948760 | 0.87 | KRAS (0.59) | 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 |
|---|---|---|---|---|---|---|---|
| CN-113004269-B | Heterocyclic compounds of Kras-G12C inhibitors | 首药控股(北京)股份有限公司 | 2024-11-05 | — | — | CN | disclosed |