Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 7/20 | 0.41 |
| ▸ | HPGD | P15428 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL6038256 | 0.92 | ADORA2A (0.55) | ADORA2AADORA1ADORA3ADORA2BF2 | |
| SCHEMBL5016138 | 0.89 | ADORA2A (0.52) | ADORA2AADORA1ADORA3ADORA2BF2 | |
| SCHEMBL5024948 | 0.86 | ADORA2A (0.57) | ADORA2AADORA1ADORA3ADORA2BF2 | |
| SCHEMBL5016100 | 0.86 | ADORA2A (0.51) | ADORA2AADORA1ADORA3ADORA2BF2 | |
| SCHEMBL5604411 | 0.82 | ADORA2A (0.64) | ADORA2AADORA1ADORA3ADORA2BF2 | |
| SCHEMBL27661596 | 0.81 | ADORA2A (0.58) | ADORA2AADORA1ADORA3ADORA2BF2 | |
| SCHEMBL27681229 | 0.81 | ADORA2A (0.53) | ADORA2AADORA1ADORA3ADORA2BF2 | |
| SCHEMBL5024971 | 0.79 | ADORA2A (0.55) | ADORA2AADORA1ADORA3ADORA2BHPGD | |
| SCHEMBL27681230 | 0.78 | ADORA2A (0.52) | ADORA2AADORA1ADORA3ADORA2BF2 | |
| SCHEMBL6038275 | 0.77 | ADORA2A (0.64) | ADORA2AADORA1ADORA3ADORA2BF2 |
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 |