Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 12/20 | 0.39 |
| ▸ | ADH1C | P00326 | 9/20 | 0.39 |
| ▸ | ADH1B | P00325 | 4/20 | 0.39 |
| ▸ | ADH4 | P08319 | 3/20 | 0.39 |
| ▸ | ADH7 | P40394 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Cycloundecane Carbaldehyde SCHEMBL1901240 | 0.97 | ADH1A (0.41) | ADH1AADH1CADH1BADH4ADH7 | |
| Cycloheptane Carbaldehyde SCHEMBL95620 | 0.97 | — | — | |
| Cyclopentanecarbaldehyde SCHEMBL14575123 | 0.97 | ADH1A (0.41) | ADH1AADH1CADH1BADH4ADH7 | |
| SCHEMBL493755 | 0.97 | ADH1A (0.41) | ADH1AADH1CADH1BADH4ADH7 | |
| SCHEMBL1684060 | 0.97 | ADH1A (0.36) | ADH1AADH1CADH1BADH4ADH7 | |
| SCHEMBL1684079 | 0.97 | ADH1A (0.36) | ADH1AADH1CADH1BADH4ADH7 | |
| SCHEMBL59918 | 0.97 | ADH1A (0.41) | ADH1AADH1CADH1BADH4ADH7 | |
| SCHEMBL3036861 | 0.97 | ADH1A (0.41) | ADH1AADH1CADH1BADH4ADH7 | |
| SCHEMBL329469 | 0.97 | ADH1A (0.41) | ADH1AADH1CADH1BADH4ADH7 | |
| Cyclononanecarbaldehyde SCHEMBL1920808 | 0.97 | ADH1A (0.41) | ADH1AADH1CADH1BADH4ADH7 |
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-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |