Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 3/20 | 0.73 |
| ▸ | ADH1A | P07327 | 3/20 | 0.73 |
| ▸ | ADH1C | P00326 | 2/20 | 0.73 |
| ▸ | ADH7 | P40394 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL26236 | 0.85 | — | — | |
| SCHEMBL6993079 | 0.77 | ADH1B (0.41) | ADH1BADH1AADH1CADH7 | |
| SCHEMBL1567953 | 0.76 | — | — | |
| Acetaldehyde SCHEMBL1401397 | 0.74 | TSHR (0.43) | ADH1BADH1AADH1C | |
| Acetaldehyde SCHEMBL225414 | 0.74 | — | — | |
| SCHEMBL733694 | 0.73 | — | — | |
| SCHEMBL7673181 | 0.72 | ADH1B (0.68) | ADH1BADH1AADH1CADH7 | |
| SCHEMBL8808939 | 0.72 | ADH1B (0.36) | ADH1BADH1AADH1C | |
| SCHEMBL514885 | 0.70 | — | — | |
| SCHEMBL17398937 | 0.70 | — | — |
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-1214331-A2 | 2-AZAPURINE COMPOUNDS AND THEIR USE | Roche Diagnostics GmbH (DE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016149-A2 | 2-AZAPURINE COMPOUNDS AND THEIR USE | ROCHE DIAGNOSTICS GMBH (DE) | 2001-03-08 | — | — | WO | disclosed |