Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.52 |
| ▸ | PDE4A | P27815 | 5/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TK1 | P04183 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL29286377 | 0.91 | TK1 (0.46) | KMT2AMEN1ALDH1A1TK1 | |
| SCHEMBL4592790 | 0.88 | ADORA2A (0.47) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL48416 | 0.86 | ADORA2A (0.45) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL48223 | 0.85 | PNP (0.42) | KMT2AMEN1ALDH1A1TK1ADORA2B | |
| SCHEMBL48362 | 0.85 | TK1 (0.51) | KMT2AMEN1ALDH1A1TK1ADORA2B | |
| SCHEMBL28712711 | 0.83 | PNP (0.42) | KMT2AMEN1ALDH1A1TK1 | |
| SCHEMBL3424796 | 0.82 | ADORA2A (0.52) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1665132 | 0.82 | TK1 (0.47) | KMT2AMEN1ALDH1A1TK1 | |
| SCHEMBL7977785 | 0.82 | TK1 (0.64) | TK1 | |
| SCHEMBL48267 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101863888-B | Medicaments with HM74a receptor activity | GLAXOSMITHKLINE LLC | 2012-07-18 | — | — | CN | disclosed |
| CN-101863888-A | Medicaments with HM74a receptor activity | SMITHKLINE BEECHAM CORP | 2010-10-20 | — | — | CN | disclosed |
| CN-101103030-B | Medicaments with HM74A receptor activity | SMITHKLINE BEECHAM CORP | 2010-10-13 | — | — | CN | disclosed |
| CN-101282976-A | Xanthine derivatives as selective HM74A agonists | SMITHKLINE BEECHAM CORP (US) | 2008-10-08 | — | — | CN | disclosed |
| CN-101274934-A | Medicaments with HM74a receptor activity | SMITHKLINE BEECHAM CORP (US) | 2008-10-01 | — | — | CN | disclosed |
| CN-101103030-A | Medicaments with HM74A receptor activity | SMITHKLINE BEECHAM CORP (US) | 2008-01-09 | — | — | CN | disclosed |