Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 16/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | STAT6 | P42226 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913883 | 0.87 | SIRT1 (0.56) | ADORA1KDM4EHTTNPSR1SIRT1 | |
| SCHEMBL13914091 | 0.86 | ADORA1 (0.52) | ADORA1KDM4EHTTNPSR1ALDH1A1 | |
| SCHEMBL13914114 | 0.85 | ADORA1 (0.53) | ADORA1KDM4EHTTNPSR1SIRT1 | |
| SCHEMBL13913983 | 0.85 | ADORA1 (0.68) | ADORA1KDM4EHTTNPSR1ADORA2B | |
| SCHEMBL13914050 | 0.85 | ADORA1 (0.52) | ADORA1KDM4EHTTNPSR1ALDH1A1 | |
| SCHEMBL13914021 | 0.85 | ADORA1 (0.54) | ADORA1KDM4EHTTNPSR1SIRT1 | |
| SCHEMBL13913999 | 0.83 | KDM4E (0.55) | ADORA1KDM4EHTTNPSR1ALDH1A1 | |
| SCHEMBL13913970 | 0.83 | ADORA1 (0.78) | ADORA1ADORA2BADORA3 | |
| SCHEMBL13913918 | 0.82 | ADORA1 (0.54) | ADORA1KDM4EHTTNPSR1SIRT1 | |
| SCHEMBL13913933 | 0.82 | KDM4E (0.55) | ADORA1KDM4EHTTNPSR1SIRT1 |
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 |