Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
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 | 0.88 | ADORA1 (0.66) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13913781 | 0.86 | ALDH1A1 (0.71) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13913526 | 0.86 | ALDH1A1 (0.73) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13913707 | 0.86 | ALDH1A1 (0.66) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13913808 | 0.86 | ALDH1A1 (0.76) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13913621 | 0.85 | ALDH1A1 (0.66) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13913677 | 0.85 | ADORA1 (0.64) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13914725 | 0.83 | RET (0.69) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13913812 | 0.83 | RET (0.68) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A | |
| SCHEMBL13913562 | 0.83 | ALDH1A1 (0.50) | ALDH1A1ADORA1ADORA2BADORA3ADORA2A |
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 |