Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.60 |
| ▸ | PDE4A | P27815 | 3/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28432151 | 0.85 | ADORA2B (0.61) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL7170406 | 0.76 | ADORA2B (0.52) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL7170414 | 0.76 | ADORA2B (0.52) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| 1-Methylxanthine SCHEMBL10996 | 0.75 | ADORA2B (1.00) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL2837684 | 0.75 | ADORA2B (0.64) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL28648091 | 0.75 | ADORA2B (0.64) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL447390 | 0.75 | ADORA2B (0.64) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL9949244 | 0.75 | ADORA2B (0.64) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL28516221 | 0.75 | ADORA2B (0.64) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL5510062 | 0.75 | ADORA2B (0.64) | ADORA2BADORA2APDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| CN-114886897-A | Pharmaceutical composition containing theophylline acetaldehyde or hydrate thereof, and preparation method and application thereof | 无锡尔云科技有限公司 | 2022-08-12 | — | — | CN | disclosed |