Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.51 |
| ▸ | PDE4A | P27815 | 4/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.51 |
| ▸ | CNOT7 | Q9UIV1 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | BRD2 | P25440 | 1/20 | 0.44 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.44 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5171921 | 0.88 | ADORA2B (0.41) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL9302134 | 0.85 | ADORA2B (0.56) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL1713301 | 0.81 | MEN1 (0.71) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL14619429 | 0.81 | ALDH1A1 (0.59) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL3179304 | 0.78 | PDE4A (0.73) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL10696644 | 0.77 | ADORA2B (0.65) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL836619 | 0.77 | MEN1 (0.77) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL8061720 | 0.77 | LMNA (0.54) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL10696881 | 0.76 | CNOT7 (0.53) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL3170200 | 0.76 | PDE4A (0.86) | ADORA2BPDE4AADORA2APDE4BPDE4C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1781657-A2 | MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006045564-A1 | XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2006-05-04 | — | — | WO | disclosed |
| WO-2005077950-A2 | MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2005-08-25 | — | — | WO | disclosed |