Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 3/20 | 0.41 |
| ▸ | LITAF | Q99732 | 3/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | SUV39H2 | Q9H5I1 | 3/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21137320 | 0.93 | KRAS (0.43) | KRASMAPTTNFLITAFMAP4K1 | |
| SCHEMBL16637000 | 0.84 | KRAS (0.44) | KRASMAPTTNFLITAFMAP4K1 | |
| SCHEMBL18395526 | 0.83 | MAPT (0.57) | MAPT | |
| SCHEMBL21099210 | 0.83 | KRAS (0.65) | KRASTNFLITAFALK | |
| SCHEMBL21137346 | 0.82 | MAP4K1 (0.45) | KRASMAPTMAP4K1 | |
| SCHEMBL21137523 | 0.82 | SUV39H2 (0.44) | MAPTTNFLITAFALKGPR119 | |
| SCHEMBL16637040 | 0.80 | KRAS (0.59) | KRASTNFLITAFALK | |
| SCHEMBL21136910 | 0.79 | ALK (0.40) | MAPTTNFLITAFALKGPR119 | |
| SCHEMBL18153432 | 0.79 | CXCR2 (0.39) | KRASMAP4K1ALKSUV39H2 | |
| SCHEMBL18128388 | 0.78 | KRAS (0.45) | KRASMAP4K1ALKSUV39H2 |
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-2019110751-A1 | TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2019-06-13 | — | — | WO | disclosed |