Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 13/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913803 | 0.85 | ADORA1 (0.71) | ADORA1KDM4EHTTNPSR1ADORA2B | |
| SCHEMBL13913547 | 0.85 | ADORA1 (0.71) | ADORA1ALDH1A1MAPK1HSD17B10HPGD | |
| SCHEMBL13913718 | 0.85 | KDM4E (0.60) | ADORA1ALDH1A1MAPK1HSD17B10HPGD | |
| SCHEMBL13913630 | 0.84 | ADORA1 (0.71) | ADORA1ALDH1A1MAPK1HSD17B10HPGD | |
| SCHEMBL13913789 | 0.84 | ADORA1 (0.71) | ADORA1ALDH1A1MAPK1HSD17B10HPGD | |
| SCHEMBL13913689 | 0.84 | ADORA1 (0.70) | ADORA1ALDH1A1ALOX15ADORA2AADORA2B | |
| SCHEMBL13914095 | 0.83 | ADORA1 (0.55) | ADORA1ALDH1A1HSD17B10HPGDALOX15 | |
| SCHEMBL13913805 | 0.82 | ADORA1 (0.66) | ADORA1ALDH1A1MAPK1HSD17B10HPGD | |
| SCHEMBL13913576 | 0.82 | ALDH1A1 (0.47) | ADORA1ALDH1A1HPGDALOX15KDM4E | |
| SCHEMBL13913811 | 0.79 | ALDH1A1 (0.56) | ADORA1ALDH1A1MAPK1HSD17B10HPGD |
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 |