Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.53 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GLS | O94925 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5017652 | 0.94 | ADORA2A (0.54) | ADORA2AADORA1ADORA3MAPK8LMNA | |
| SCHEMBL5022365 | 0.92 | ADORA2A (0.59) | ADORA2AADORA1MAPK8GLSGSK3B | |
| SCHEMBL6038236 | 0.91 | ADORA2A (0.64) | ADORA2AADORA1ADORA3MAPK8LMNA | |
| SCHEMBL5022900 | 0.87 | ADORA2A (0.54) | ADORA2AADORA1ADORA3MAPK8LMNA | |
| SCHEMBL5026311 | 0.87 | ADORA2A (0.61) | ADORA2AADORA1MAPK8GLSGSK3B | |
| SCHEMBL5016157 | 0.84 | ADORA2A (0.61) | ADORA2AADORA1ADORA3MAPK8LMNA | |
| SCHEMBL5022756 | 0.84 | ADORA2A (0.71) | ADORA2AADORA1MAPK8CDK9 | |
| SCHEMBL6038259 | 0.83 | ADORA2A (0.52) | ADORA2AADORA1ADORA3MAPK8LMNA | |
| SCHEMBL5022961 | 0.82 | ADORA2A (0.56) | ADORA2AADORA1ADORA3 | |
| SCHEMBL5023042 | 0.82 | ADORA2A (0.63) | ADORA2AADORA1ADORA3MAPK8MEN1 |
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 |