Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.36 |
| ▸ | MET | P08581 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCND3 | P30281 | 1/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 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 | |
|---|---|---|---|---|
| SCHEMBL21099343 | 1.00 | KCNH2 (0.38) | KCNH2GPR119METMMP1MMP9 | |
| SCHEMBL21099594 | 0.93 | KCNH2 (0.37) | KCNH2GPR119METMMP1MMP9 | |
| SCHEMBL28648177 | 0.93 | KCNH2 (0.37) | KCNH2GPR119METMMP1MMP9 | |
| SCHEMBL21099325 | 0.92 | KCNH2 (0.37) | KCNH2GPR119METMMP1MMP9 | |
| SCHEMBL21099308 | 0.87 | KCNH2 (0.38) | KCNH2GPR119METMMP1MMP9 | |
| SCHEMBL21137090 | 0.87 | KCNH2 (0.38) | KCNH2GPR119METMMP1MMP9 | |
| SCHEMBL29153252 | 0.86 | PRKCQ (0.36) | GPR119METMMP1MMP9MMP3 | |
| SCHEMBL28681459 | 0.85 | KCNH2 (0.38) | KCNH2GPR119METPRKCQHDAC6 | |
| SCHEMBL21099342 | 0.83 | MET (0.38) | KCNH2GPR119METMMP1MMP9 | |
| SCHEMBL21099347 | 0.82 | KCNH2 (0.38) | KCNH2GPR119METMMP1MMP9 |
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 |