Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | GCK | P35557 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18811876 | 0.78 | — | — | |
| SCHEMBL16139566 | 0.75 | CHRNB2 (0.40) | CHRNB2CHRNA4 | |
| SCHEMBL16139568 | 0.69 | SMN1; SMN2 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL16139570 | 0.68 | CHRNB2 (0.41) | CHRNB2CHRNA4 | |
| SCHEMBL21241189 | 0.68 | CYP2A6 (0.37) | CHRNB2CHRNA4 | |
| SCHEMBL23833532 | 0.68 | CHRNB2 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL30094532 | 0.68 | CHRNB2 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL2067135 | 0.66 | — | — | |
| SCHEMBL2111945 | 0.65 | — | — | |
| SCHEMBL2614968 | 0.65 | — | — |
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-3495360-A1 | HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES | Grünenthal GmbH (DE) | 2019-06-12 | — | — | EP | disclosed |