Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.47 |
| ▸ | LIG1 | P18858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | PTGDR | Q13258 | 9/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 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 | |
|---|---|---|---|---|
| SCHEMBL5970460 | 0.91 | NPC1 (0.48) | LIG1HTTADORA2BHDAC1KMT2A | |
| SCHEMBL5970239 | 0.82 | ADORA2B (0.51) | SMN1; SMN2ADORA2B | |
| SCHEMBL5970324 | 0.82 | ATM (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5970144 | 0.79 | ADORA2B (0.47) | LIG1ADORA2BKMT2AMEN1 | |
| SCHEMBL5970230 | 0.77 | ADORA2B (0.48) | ADORA2BHDAC1NPC1RAB9A | |
| SCHEMBL1497237 | 0.77 | ADORA2B (0.68) | CYP3A4SMN1; SMN2ADORA2B | |
| SCHEMBL5970512 | 0.77 | ADORA2B (0.45) | ADORA2BJAK1 | |
| SCHEMBL5971137 | 0.77 | ATM (0.51) | ABL1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5970527 | 0.76 | ADORA2B (0.57) | LIG1CYP3A4ADORA2BKMT2AMEN1 | |
| SCHEMBL5970374 | 0.75 | ADORA2B (0.48) | LIG1SMN1; SMN2ADORA2B |
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 4 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 |
| 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 |