Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.55 |
| ▸ | MAP2K1 | Q02750 | 11/20 | 0.48 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.48 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1615633 | 0.90 | KCNH2 (0.53) | KCNH2MAP2K1MAP2K2DGAT1CYP2C9 | |
| SCHEMBL1616117 | 0.87 | KCNH2 (0.53) | KCNH2MAP2K1MAP2K2CYP2C9GAA | |
| SCHEMBL21553332 | 0.83 | KCNH2 (0.59) | KCNH2MAP2K1MAP2K2DGAT1CYP2C9 | |
| SCHEMBL1615478 | 0.83 | KCNH2 (0.80) | KCNH2MAP2K1MAP2K2CYP2C9 | |
| SCHEMBL29684045 | 0.83 | KCNH2 (0.80) | KCNH2MAP2K1MAP2K2CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL29781336 | 0.81 | KCNH2 (0.64) | KCNH2MAP2K1MAP2K2CYP2C9 | |
| SCHEMBL29683678 | 0.81 | KCNH2 (0.63) | KCNH2MAP2K1MAP2K2CYP2C9 | |
| SCHEMBL1616128 | 0.81 | KCNH2 (0.63) | KCNH2MAP2K1MAP2K2CYP2C9 | |
| SCHEMBL1615992 | 0.80 | KCNH2 (0.65) | KCNH2MAP2K1MAP2K2CYP2C9 | |
| SCHEMBL1615838 | 0.78 | KCNH2 (0.55) | KCNH2MAP2K1MAP2K2CYP2C9GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3563870-A1 | METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2019-11-06 | — | — | EP | disclosed |