Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KRAS | P01116 | 6/20 | 0.32 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21050711 | 1.00 | PDGFRB (0.33) | PDGFRBKRASCYP8B1KDM4ECUL4A | |
| SCHEMBL21050944 | 0.89 | ABL1 (0.36) | PDGFRBKRASCYP8B1KDM4ECUL4A | |
| SCHEMBL21099345 | 0.87 | MET (0.41) | CYP8B1ALDH1A1 | |
| SCHEMBL21050677 | 0.87 | ABL1 (0.36) | PDGFRBKRASCYP8B1KDM4ECUL4A | |
| SCHEMBL21050764 | 0.87 | ABL1 (0.36) | PDGFRBKRASCYP8B1KDM4ECUL4A | |
| SCHEMBL21050676 | 0.87 | ABL1 (0.36) | PDGFRBKRASCYP8B1KDM4ECUL4A | |
| SCHEMBL21050918 | 0.80 | ABL1 (0.36) | PDGFRBKRASCYP8B1MEN1ALDH1A1 | |
| SCHEMBL28665750 | 0.79 | MEN1 (0.36) | CYP8B1MEN1ALDH1A1KMT2A | |
| SCHEMBL21050831 | 0.79 | KRAS (0.34) | KRASKDM4ECUL4AALDH1A1 | |
| SCHEMBL21050939 | 0.79 | KRAS (0.34) | KRASKDM4ECUL4AMEN1ALDH1A1 |
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 |