Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | LTK | P29376 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6038234 | 0.84 | ADORA2A (0.39) | ADORA2AADORA3ADORA1MCL1HPGD | |
| SCHEMBL5016113 | 0.78 | ADORA2A (0.38) | ADORA2AADORA3ADORA1ALDH1A1LMNA | |
| SCHEMBL28760680 | 0.76 | ADORA2A (0.53) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL5024943 | 0.74 | ADORA2A (0.63) | ADORA2AADORA3ADORA1HPGDALDH1A1 | |
| SCHEMBL5017904 | 0.74 | ADORA2A (0.65) | ADORA2AADORA3ADORA1ALDH1A1LMNA | |
| SCHEMBL5017703 | 0.72 | ADORA2A (0.48) | ADORA2AADORA3ADORA1HPGDALDH1A1 | |
| SCHEMBL28760681 | 0.71 | ADORA2A (0.47) | ADORA2AADORA3ADORA1HPGDALDH1A1 | |
| SCHEMBL6038215 | 0.68 | ADORA2A (0.43) | ADORA2AADORA3ADORA1HPGDALDH1A1 | |
| SCHEMBL6038204 | 0.67 | KDM4E (0.38) | ADORA2AADORA3ADORA1HPGDALDH1A1 | |
| SCHEMBL27581019 | 0.62 | LTA4H (0.59) | FFAR1HDAC1HDAC6 |
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 |