Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCND2 | P30279 | 1/20 | 0.40 |
| ▸ | CCND3 | P30281 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.36 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9039917 | 0.81 | ADORA2B (0.40) | ADORA2BADORA2APDE4BPDE4APDE4C | |
| SCHEMBL9039738 | 0.80 | ADORA2B (0.40) | ADORA2BADORA2APDE4BPDE4APDE4C | |
| SCHEMBL9019089 | 0.77 | ADORA2B (0.44) | ADORA2BADORA2APDE4BPDE4APDE4C | |
| SCHEMBL9018998 | 0.77 | ADORA2B (0.48) | ADORA2BADORA2APDE4BPDE4APDE4C | |
| SCHEMBL9037741 | 0.76 | ADORA2B (0.40) | ADORA2BADORA2ACDK4CCND1CCND2 | |
| SCHEMBL9039588 | 0.73 | SIRT1 (0.39) | ADORA2BADORA2ACDK4CCND1CCND2 | |
| SCHEMBL9040396 | 0.70 | ADORA2A (0.49) | ADORA2BADORA2APDE4BPDE4APDE4C | |
| SCHEMBL9038294 | 0.69 | ADORA2B (0.40) | ADORA2BADORA2APDE4BPDE4APDE4C | |
| SCHEMBL9038499 | 0.68 | ADORA2A (0.43) | ADORA2BADORA2APDE4BPDE4APDE4C | |
| SCHEMBL9039329 | 0.68 | ADORA2A (0.47) | ADORA2BADORA2APDE4BPDE4APDE4C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0696590-A1 | Pyrido[2,3-d]pyrimidine derivatives, their preparation and their use as anti-asthma agents | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 1996-02-14 | — | — | EP | disclosed |