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 | |
|---|---|---|---|---|
| SCHEMBL3845090 | 1.00 | ADORA1 (0.44) | ADORA1SLC6A3 | |
| SCHEMBL3575738 | 0.88 | ADORA1 (0.49) | ADORA1SLC6A3 | |
| SCHEMBL3853837 | 0.84 | ADORA1 (0.48) | ADORA1SLC6A3 | |
| SCHEMBL3572617 | 0.83 | ADORA1 (0.61) | ADORA1SLC6A3 | |
| SCHEMBL14735654 | 0.79 | ADORA1 (0.37) | ADORA1SLC6A3 | |
| SCHEMBL13550237 | 0.79 | ADORA1 (0.51) | ADORA1SLC6A3 | |
| SCHEMBL3842754 | 0.76 | ADORA1 (0.40) | ADORA1SLC6A3 | |
| SCHEMBL3572722 | 0.75 | ADORA1 (0.50) | ADORA1SLC6A3 | |
| SCHEMBL13550249 | 0.73 | MEN1 (0.43) | ADORA1 | |
| SCHEMBL3571933 | 0.73 | ADORA1 (0.65) | ADORA1SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2099788-B1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER IP GMBH (DE) | 2013-03-06 | — | — | EP | disclosed |
| EP-2099788-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008064788-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-05 | — | — | WO | disclosed |