Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.32 |
| ▸ | GLS | O94925 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 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 | |
|---|---|---|---|---|
| SCHEMBL24325795 | 0.89 | TBK1 (0.34) | ROCK2TBK1GLS | |
| SCHEMBL24326520 | 0.87 | PARP1 (0.33) | — | |
| SCHEMBL24326259 | 0.87 | PARP1 (0.33) | — | |
| SCHEMBL24326675 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL24325747 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL24326673 | 0.85 | ALDH1A1 (0.40) | ROCK2 | |
| SCHEMBL24326684 | 0.82 | P2RX3 (0.33) | TBK1 | |
| SCHEMBL24325771 | 0.82 | GPR119 (0.33) | TBK1 | |
| SCHEMBL24326190 | 0.81 | TBK1 (0.42) | ROCK2TBK1GLSMAPTNPSR1 | |
| SCHEMBL24325752 | 0.79 | ALDH1A1 (0.40) | ROCK2 |
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-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |