Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 11/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.68 |
| ▸ | PDE4A | P27815 | 7/20 | 0.68 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.68 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.68 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5451521 | 0.88 | ADORA2B (0.68) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL59949 | 0.83 | ADORA2B (0.72) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL1892011 | 0.83 | ADORA2B (0.92) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL11661797 | 0.82 | ADORA2B (0.89) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL21381249 | 0.82 | ADORA2B (0.89) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL27395394 | 0.81 | ADORA2B (1.00) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL6233166 | 0.81 | ADORA2B (1.00) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL9432924 | 0.79 | ADORA2B (0.71) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL5039468 | 0.79 | ADORA2B (0.74) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL31081359 | 0.79 | ADORA2B (0.74) | ADORA2BADORA2AADORA3PDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| CN-1026112-C | Process of preparing hydroxyalkylxanthines and medicines containing them and uses thereof | HOECHST AG (DE) | 1994-10-05 | — | — | CN | disclosed |
| CN-86105835-A | Preparation method of tertiary hydroxyalkyl xanthines, medicine containing tertiary hydroxyalkyl xanthines and application thereof | — | 1987-01-14 | — | — | CN | disclosed |