Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5970236 | 0.83 | ADORA2B (0.49) | HTTSMN1; SMN2ADORA2BADORA3KDM4E | |
| SCHEMBL5971083 | 0.81 | ATM (0.49) | CYP3A4CYP1A2CYP2D6CYP2C19ADORA2B | |
| SCHEMBL5970424 | 0.77 | ADORA2B (0.40) | ADORA2BADORA3KDM4EADORA2APDE4A | |
| SCHEMBL5970228 | 0.75 | ADORA2B (0.45) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL5970280 | 0.74 | KMT2A (0.46) | CYP3A4CYP1A2CYP2D6CYP2C19ADORA2B | |
| SCHEMBL5970321 | 0.74 | ADORA2A (0.47) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL28302920 | 0.72 | PDE4A (0.59) | ADORA2BADORA3KDM4EADORA2APDE4A | |
| SCHEMBL5970042 | 0.70 | ABL1 (0.43) | ABL1RIN1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL5970475 | 0.69 | ADORA2B (0.49) | ABL1RIN1ADORA2BADORA3ADORA2A | |
| SCHEMBL4575173 | 0.68 | MAPT (0.61) | ABL1RIN1CYP3A4CYP1A2CYP2D6 |
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 | disclosed |
| WO-2005021548-A2 | SUBSTITUTED 8-HETEROARYL XANTHINES | ADENOSINE THERAPEUTICS, LLC (US) | 2005-03-10 | — | — | WO | disclosed |