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 | |
|---|---|---|---|---|
| SCHEMBL13227751 | 0.95 | ADORA1 (0.50) | ADORA1SLC6A3 | |
| SCHEMBL20211455 | 0.94 | ADORA1 (0.52) | ADORA1SLC6A3 | |
| SCHEMBL20211453 | 0.94 | ADORA1 (0.52) | ADORA1SLC6A3 | |
| SCHEMBL3724537 | 0.94 | ADORA1 (0.52) | ADORA1SLC6A3 | |
| SCHEMBL20211459 | 0.94 | ADORA1 (0.52) | ADORA1SLC6A3 | |
| SCHEMBL20211443 | 0.94 | ADORA1 (0.54) | ADORA1SLC6A3 | |
| SCHEMBL3738904 | 0.94 | ADORA1 (0.54) | ADORA1SLC6A3 | |
| SCHEMBL3727107 | 0.92 | ADORA1 (0.54) | ADORA1SLC6A3 | |
| SCHEMBL3729431 | 0.92 | ADORA1 (0.50) | ADORA1SLC6A3 | |
| Hydrochloric Acid SCHEMBL3735467 | 0.91 | ADORA1 (0.49) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3292133-B1 | METHOD FOR THE PREPARATION OF 2-{4-[2-({[2-(4-CHLOROPHENYL) -1,3-THIAZOL-4-YL]METHYL}SULFANYL)-3,5-DICYAN-6- (PYRROLIDIN-1-YL)PYRIDIN-4-YL]PHENOXY}ETHYL-L-ALANYL-L-ALANINATE HYDROCHLORIDE | Bayer Pharma AG (DE) | 2019-06-26 | — | — | EP | disclosed |