Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.37 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.33 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.32 |
| ▸ | KRAS | P01116 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL21137486 | 0.87 | NR1H2 (0.37) | MAP4K4GPR119SUV39H2MAPTNR1H2 | |
| SCHEMBL21136807 | 0.85 | HDAC1 (0.39) | MAP4K4HDAC1GPR119SUV39H2NTRK1 | |
| SCHEMBL21136903 | 0.83 | ALDH1A1 (0.40) | MAP4K4HDAC1GPR119SUV39H2NTRK1 | |
| SCHEMBL26243059 | 0.83 | MAP4K4 (0.40) | MAP4K4HDAC1GPR119SUV39H2NR1H2 | |
| SCHEMBL24425025 | 0.83 | MAP4K4 (0.40) | MAP4K4HDAC1GPR119SUV39H2NR1H2 | |
| SCHEMBL18128606 | 0.80 | MAP4K4 (0.47) | MAP4K4HDAC1GPR119SUV39H2KRAS | |
| SCHEMBL31658145 | 0.80 | MAP4K4 (0.47) | MAP4K4HDAC1GPR119SUV39H2KRAS | |
| SCHEMBL24425024 | 0.77 | MAP4K4 (0.40) | MAP4K4HDAC1GPR119SUV39H2NTRK1 | |
| SCHEMBL28842032 | 0.77 | MAP4K4 (0.40) | MAP4K4HDAC1GPR119SUV39H2NTRK1 | |
| SCHEMBL25099624 | 0.76 | MAP4K4 (0.43) | MAP4K4HDAC1GPR119SUV39H2NTRK1 |
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 |