Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL225281 | 0.80 | — | — | |
| SCHEMBL18826036 | 0.79 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL18826037 | 0.79 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL2720004 | 0.74 | — | — | |
| SCHEMBL18002834 | 0.72 | NQO2 (0.45) | — | |
| SCHEMBL1475043 | 0.69 | — | — | |
| SCHEMBL9696347 | 0.67 | PRKDC (0.41) | CYP2A6 | |
| SCHEMBL31337706 | 0.67 | CYP2A6 (0.37) | CYP2A6 | |
| SCHEMBL15630816 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL11350874 | 0.66 | CYP2A6 (0.33) | CYP2A6 |
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-2007021693-A2 | TRANSITION METAL CATALYZED CROSS-COUPLING OF 1-HALO-1-HALOALKENE COMPOUNDS | REPLIDYNE, INC. (US) | 2007-02-22 | — | — | WO | disclosed |