Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL843395 | 0.92 | ADORA2A (0.47) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL13263762 | 0.82 | ADORA2A (0.45) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL3115718 | 0.80 | ADORA2A (0.55) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL837712 | 0.79 | ADORA2A (0.48) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL3105542 | 0.78 | ADORA1 (0.49) | ADORA2AADORA2BADORA1KDM4EMEN1 | |
| SCHEMBL837452 | 0.78 | ADORA3 (0.48) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL3106241 | 0.77 | ADORA2B (0.58) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL3620246 | 0.77 | SIRT1 (0.61) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL3611280 | 0.76 | ADORA2A (0.60) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL3116318 | 0.76 | ADORA2A (0.49) | ADORA2AADORA2BADORA1ADORA3KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007017261-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-02-15 | — | — | WO | disclosed |