Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 19/20 | 0.71 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913805 | 0.86 | ADORA1 (0.66) | ADORA1ADORA2BADORA3KDM4ENPSR1 | |
| SCHEMBL13913825 | 0.85 | ADORA1 (0.52) | ADORA1ADORA2BADORA3KDM4EHTT | |
| SCHEMBL13913698 | 0.83 | ADORA1 (0.81) | ADORA1ADORA2BADORA3KDM4EHTT | |
| SCHEMBL4309701 | 0.83 | ADORA1 (1.00) | ADORA1ADORA2BADORA3KDM4EHTT | |
| SCHEMBL13913771 | 0.82 | ADORA1 (1.00) | ADORA1ADORA2BKDM4EHTTNPSR1 | |
| SCHEMBL13913604 | 0.82 | ADORA1 (1.00) | ADORA1ADORA2BADORA3KDM4EHTT | |
| SCHEMBL13913670 | 0.82 | ADORA1 (1.00) | ADORA1ADORA2BADORA3 | |
| SCHEMBL13913811 | 0.82 | ALDH1A1 (0.56) | ADORA1ADORA2BADORA3KDM4EHTT | |
| SCHEMBL13913808 | 0.82 | ALDH1A1 (0.76) | ADORA1ADORA2BADORA3KDM4EHTT | |
| SCHEMBL13914092 | 0.82 | ADORA1 (0.74) | ADORA1ADORA2BADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |