Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CDK7 | P50613 | 3/20 | 0.34 |
| ▸ | GRM5 | P41594 | 4/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9970824 | 0.87 | CDK7 (0.36) | CDK7GRM5HTR3A | |
| SCHEMBL15401021 | 0.85 | MAPK3 (0.38) | BTK | |
| SCHEMBL9941262 | 0.85 | MAPK3 (0.38) | BTK | |
| SCHEMBL15400717 | 0.85 | HTR3A (0.34) | BTKGRM5HTR3A | |
| SCHEMBL9970907 | 0.81 | TP53 (0.37) | — | |
| SCHEMBL9970820 | 0.81 | GRM5 (0.37) | BTKCDK7GRM5 | |
| SCHEMBL15401564 | 0.81 | GRM5 (0.37) | BTKCDK7GRM5 | |
| SCHEMBL16188366 | 0.78 | PDE5A (0.35) | CDK7GRM5AURKAAURKB | |
| SCHEMBL9967246 | 0.78 | CDK7 (0.43) | CDK7 | |
| SCHEMBL15400495 | 0.78 | EGFR (0.34) | BTKAURKAAURKB |
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-2012083121-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |