Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.47 |
| ▸ | LIG1 | P18858 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.33 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.31 |
| ▸ | CBFB | Q13951 | 1/20 | 0.31 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5970374 | 0.86 | ADORA2B (0.48) | ADORA2BLIG1XDHADORA3PCSK9 | |
| SCHEMBL5970231 | 0.85 | ADORA2B (0.56) | ADORA2BLIG1XDHADORA3PCSK9 | |
| SCHEMBL5970239 | 0.82 | ADORA2B (0.51) | ADORA2BXDHADORA3ALDH1A1HCAR3 | |
| SCHEMBL5970460 | 0.81 | NPC1 (0.48) | ADORA2BLIG1HPSEDGAT1CYP2C8 | |
| SCHEMBL5971456 | 0.80 | ADORA2B (0.53) | ADORA2BXDH | |
| SCHEMBL5970527 | 0.80 | ADORA2B (0.57) | ADORA2BLIG1XDHKDM4EALDH1A1 | |
| SCHEMBL5970512 | 0.79 | ADORA2B (0.45) | ADORA2BXDHADORA3DGAT1CYP2C8 | |
| SCHEMBL5970180 | 0.79 | ADORA2B (0.50) | ADORA2BLIG1XDHADORA3KDM4E | |
| SCHEMBL5971137 | 0.79 | ATM (0.51) | ADORA2BHPSEALDH1A1GAAMEN1 | |
| SCHEMBL5970039 | 0.79 | ABL1 (0.47) | ADORA2BLIG1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1658291-A2 | SUBSTITUTED 8-HETEROARYL XANTHINES | Adenosine Therapeutics, LLC (US) | 2006-05-24 | — | — | EP | claimed |
| WO-2005021548-A2 | SUBSTITUTED 8-HETEROARYL XANTHINES | ADENOSINE THERAPEUTICS, LLC (US) | 2005-03-10 | — | — | WO | claimed |