Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 9/20 | 0.39 |
| ▸ | ADH1C | P00326 | 7/20 | 0.39 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | F2R | P25116 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL1011943 | 0.91 | ADH1A (0.33) | ADH1AADH1CADH4F2R | |
| SCHEMBL27716812 | 0.89 | ADH1C (0.31) | ADH1AADH1C | |
| SCHEMBL13591076 | 0.87 | ALDH1A1 (0.33) | ADH1AADH1CADH4ADH1B | |
| SCHEMBL11903599 | 0.87 | ALDH1A1 (0.33) | ADH1AADH1CADH4ADH1B | |
| SCHEMBL10472670 | 0.82 | — | — | |
| SCHEMBL9805832 | 0.82 | — | — | |
| SCHEMBL9537517 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL11903878 | 0.79 | EPHX1 (0.31) | — | |
| SCHEMBL30970515 | 0.79 | — | — | |
| SCHEMBL30281340 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103154217-A | 4,4-dimethyl-decal-1-one or -1-ol derivatives as perfuming ingredients | FIRMENICH & CIE | 2013-06-12 | — | — | CN | disclosed |