Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | KRAS | P01116 | 1/20 | 0.40 |
| ▸ | BCL6 | P41182 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21136787 | 0.82 | KRAS (0.44) | MAP4K1KRASMAPT | |
| Hydrochloric Acid SCHEMBL16637286 | 0.81 | NTRK1 (0.45) | MAP4K1NTRK1TGFBR1ACVR1KRAS | |
| SCHEMBL21099627 | 0.80 | KRAS (0.55) | MAP4K1NTRK1KRASCHEK2 | |
| SCHEMBL16636995 | 0.76 | KRAS (0.53) | MAP4K1NTRK1CYP3A4CYP2C19HTR7 | |
| SCHEMBL21137320 | 0.74 | KRAS (0.43) | MAP4K1KRASMAPT | |
| SCHEMBL18153560 | 0.73 | NTRK1 (0.41) | MAP4K1NTRK1KCNH2HTR7HTR1A | |
| SCHEMBL21099397 | 0.71 | KRAS (0.43) | MAP4K1NTRK1KRAS | |
| SCHEMBL21136812 | 0.71 | KRAS (0.59) | KRAS | |
| SCHEMBL21050778 | 0.71 | KRAS (0.69) | KRAS | |
| SCHEMBL18128443 | 0.70 | NTRK1 (0.40) | MAP4K1NTRK1CYP3A4HTR7HTR1A |
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 |