Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.60 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 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 | 0.88 | ADORA1 (0.66) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13913521 | 0.86 | ALDH1A1 (1.00) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13913704 | 0.86 | ALDH1A1 (0.84) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13914101 | 0.86 | ALDH1A1 (0.84) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13913776 | 0.86 | ALDH1A1 (0.84) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13913811 | 0.86 | ALDH1A1 (0.56) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13913614 | 0.85 | ALDH1A1 (0.82) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13913674 | 0.85 | ALDH1A1 (0.82) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13914611 | 0.85 | RET (0.70) | ALDH1A1KDM4ENPSR1MAPTRXFP1 | |
| SCHEMBL13914094 | 0.85 | ALDH1A1 (0.80) | ALDH1A1KDM4ENPSR1MAPTRXFP1 |
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 |