Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.51 |
| ▸ | F2 | P00734 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | F12 | P00748 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5016276 | 0.79 | ADORA2A (0.69) | ADORA2AADORA1F2MAPTF12 | |
| SCHEMBL6038275 | 0.78 | ADORA2A (0.64) | ADORA2AADORA1F2MAPTKMT2A | |
| SCHEMBL6038240 | 0.77 | ADORA2A (0.46) | ADORA2AADORA1F2MAPTF12 | |
| SCHEMBL6038394 | 0.76 | ADORA2A (0.59) | ADORA2AADORA1F2MAPTF12 | |
| SCHEMBL8287491 | 0.75 | ADORA2A (0.63) | ADORA2AADORA1F2MAPTF12 | |
| SCHEMBL5016175 | 0.75 | ADORA2A (0.59) | ADORA2AADORA1KMT2AADORA3ADORA2B | |
| SCHEMBL5016100 | 0.75 | ADORA2A (0.51) | ADORA2AADORA1F2MAPTF12 | |
| SCHEMBL5016301 | 0.75 | ADORA2A (0.67) | ADORA2AADORA1ADORA3ADORA2BHPGD | |
| SCHEMBL5026222 | 0.74 | ADORA2A (0.52) | ADORA2AADORA1F2MAPTF12 | |
| SCHEMBL6038222 | 0.73 | ADORA2A (0.66) | ADORA2AADORA1F2MAPTF12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1697351-A1 | 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | Almirall Prodesfarma AG (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058883-A1 | 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2005-06-30 | — | — | WO | disclosed |