Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL18625376 | 0.76 | CYP2D6 (0.41) | CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL19879078 | 0.75 | CYP2D6 (0.46) | CYP2D6CYP2C19MMP1MMP8ALDH1A1 | |
| SCHEMBL21291218 | 0.72 | EPHX1 (0.44) | CYP2D6CYP2C19MMP1MMP8ALDH1A1 | |
| SCHEMBL21291175 | 0.71 | CYP2D6 (0.37) | CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL22403063 | 0.71 | CYP2D6 (0.37) | CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL24764125 | 0.71 | CYP2D6 (0.37) | CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL23696755 | 0.71 | EPHX1 (0.47) | CYP2D6CYP2C19 | |
| SCHEMBL21291261 | 0.71 | CYP2D6 (0.37) | CYP2D6CYP2C19MMP1MMP8 | |
| SCHEMBL7907351 | 0.70 | — | — | |
| SCHEMBL25110744 | 0.69 | EPHX1 (0.50) | ALDH1A1 |
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-2019161213-A1 | TRIALKYNE LINKING AGENTS AND METHODS OF USE | Arrowhead Pharmaceuticals, Inc. (US) | 2019-08-22 | — | — | WO | disclosed |