Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6038237 | 0.84 | ADORA2A (0.38) | ADORA2AADORA1ADORA3AURKAJAK2 | |
| SCHEMBL5022230 | 0.78 | ADORA2A (0.59) | ADORA2AADORA1ADORA3FLT3ALDH1A1 | |
| SCHEMBL5016082 | 0.75 | ADORA2A (0.43) | ADORA2AADORA1ADORA3FLT3HPGD | |
| SCHEMBL27661589 | 0.75 | ADORA2A (0.54) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5026342 | 0.75 | ADORA2A (0.52) | ADORA2AADORA1ADORA3LMNAALDH1A1 | |
| SCHEMBL5016105 | 0.74 | ADORA2A (0.65) | ADORA2AADORA1ADORA3HPGDALDH1A1 | |
| SCHEMBL5016218 | 0.74 | ADORA2A (0.67) | ADORA2AADORA1ADORA3ALDH1A1ADORA2B | |
| SCHEMBL6038241 | 0.72 | BRD4 (0.48) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5022445 | 0.72 | ADORA2A (0.53) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5022327 | 0.72 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2B |
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 |