Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 19/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13914008 | 0.94 | ADORA1 (0.73) | ADORA1KDM4EHTTNPSR1ADORA2B | |
| SCHEMBL13913879 | 0.90 | ADORA1 (0.66) | ADORA1ADORA2B | |
| SCHEMBL13914112 | 0.88 | ADORA1 (0.64) | ADORA1ADORA2B | |
| SCHEMBL13914021 | 0.88 | ADORA1 (0.54) | ADORA1KDM4EHTTNPSR1 | |
| SCHEMBL13913930 | 0.87 | ADORA1 (0.63) | ADORA1KDM4ENPSR1 | |
| SCHEMBL13914019 | 0.86 | ADORA1 (0.57) | ADORA1KDM4EHTTNPSR1 | |
| SCHEMBL13913954 | 0.85 | KDM4E (0.63) | ADORA1KDM4EHTTNPSR1 | |
| SCHEMBL13913915 | 0.85 | ADORA1 (0.63) | ADORA1KDM4EHTTNPSR1ADORA2B | |
| SCHEMBL13914016 | 0.83 | ADORA1 (0.53) | ADORA1KDM4EHTTNPSR1 | |
| SCHEMBL13913872 | 0.83 | ADORA1 (0.76) | ADORA1ADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7504421-B2 | Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |
| US-7504421-B2 | Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |