Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | PNP | P00491 | 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 | |
|---|---|---|---|---|
| SCHEMBL5970240 | 0.81 | ALDH1A1 (0.40) | ALDH1A1XDHHCAR1PNP | |
| SCHEMBL5970283 | 0.79 | MEN1 (0.41) | ALDH1A1CYP2D6 | |
| SCHEMBL5970432 | 0.78 | ALDH1A1 (0.38) | ALDH1A1XDHHCAR1 | |
| SCHEMBL5970318 | 0.78 | HCAR3 (0.41) | ALDH1A1XDHHCAR1PNP | |
| SCHEMBL5971079 | 0.77 | ATM (0.50) | ALDH1A1XDHCYP2D6 | |
| SCHEMBL158477 | 0.75 | ALDH1A1 (0.73) | ALDH1A1XDHHCAR1ADORA2AADORA2B | |
| SCHEMBL5970479 | 0.69 | ALDH1A1 (0.44) | ALDH1A1XDHHCAR1PNP | |
| SCHEMBL5970231 | 0.68 | ADORA2B (0.56) | XDHADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL932153 | 0.67 | XDH (0.60) | ALDH1A1XDHHCAR1ADORA3 | |
| SCHEMBL5970228 | 0.67 | ADORA2B (0.45) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 |
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 |