Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL15088364 | 0.88 | CYP2D6 (0.31) | — | |
| SCHEMBL15533757 | 0.82 | CYP2D6 (0.30) | — | |
| SCHEMBL17662686 | 0.80 | SLC6A4 (0.31) | — | |
| SCHEMBL22944898 | 0.78 | SLC6A4 (0.37) | — | |
| SCHEMBL14102785 | 0.78 | — | — | |
| SCHEMBL16915700 | 0.76 | OPRM1 (0.35) | KDM4EKMT2A | |
| SCHEMBL23606901 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL19321826 | 0.74 | GBA1 (0.32) | — | |
| SCHEMBL26170089 | 0.74 | — | — | |
| SCHEMBL27482075 | 0.74 | — | — |
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-3038466-B1 | 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |