Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 3/20 | 0.33 |
| ▸ | ADH1C | P00326 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | ADH1B | P00325 | 1/20 | 0.30 |
| ▸ | ADH4 | P08319 | 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 | |
|---|---|---|---|---|
| SCHEMBL28030870 | 0.79 | ADH1C (0.34) | SHBGADH1AADH1CEPHX1ADH1B | |
| SCHEMBL12802973 | 0.69 | SHBG (0.52) | SHBGADH1AADH1CEPHX1ADH1B | |
| SCHEMBL741066 | 0.69 | SHBG (0.52) | SHBGADH1AADH1CEPHX1ADH1B | |
| SCHEMBL9011784 | 0.69 | ADH1B (0.32) | ADH1AADH1CADH1BADH4 | |
| SCHEMBL21114258 | 0.69 | SHBG (0.52) | SHBGADH1AADH1CEPHX1ADH1B | |
| SCHEMBL21114294 | 0.69 | SHBG (0.52) | SHBGADH1AADH1CEPHX1ADH1B | |
| SCHEMBL21114256 | 0.69 | SHBG (0.52) | SHBGADH1AADH1CEPHX1ADH1B | |
| SCHEMBL21114328 | 0.69 | SHBG (0.52) | SHBGADH1AADH1CEPHX1ADH1B | |
| SCHEMBL21114292 | 0.69 | SHBG (0.52) | SHBGADH1AADH1CEPHX1ADH1B | |
| SCHEMBL21114236 | 0.69 | SHBG (0.52) | SHBGADH1AADH1CEPHX1ADH1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1029845-A1 | 2-(4-Tert-pentylcyclohexyl)acetaldehyde and its use as fragrance compound | QUEST INTERNATIONAL B.V. (NL) | 2000-08-23 | — | — | EP | disclosed |