Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.82 |
| ▸ | MEN1 | O00255 | 6/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.75 |
| ▸ | HTT | P42858 | 1/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.67 |
| ▸ | PDE5A | O76074 | 1/20 | 0.66 |
| ▸ | PDE1A | P54750 | 1/20 | 0.66 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.66 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.66 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL13914101 | 0.90 | ALDH1A1 (0.84) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13913776 | 0.90 | ALDH1A1 (0.84) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13913704 | 0.90 | ALDH1A1 (0.84) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13913521 | 0.90 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13913674 | 0.89 | ALDH1A1 (0.82) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13914094 | 0.88 | ALDH1A1 (0.80) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13913892 | 0.88 | ALDH1A1 (0.80) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13913606 | 0.86 | ADORA1 (0.71) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13913605 | 0.86 | ADORA1 (0.71) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL13913808 | 0.85 | ALDH1A1 (0.76) | ALDH1A1MEN1KMT2AHTTKDM4E |
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 |