Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 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 | |
|---|---|---|---|---|
| SCHEMBL7911044 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2D6ADH1BADH1CADH1A | |
| SCHEMBL5515063 | 0.82 | CYP1A2 (0.37) | CYP1A2CYP2D6 | |
| SCHEMBL6830153 | 0.79 | CYP1A2 (0.38) | CYP1A2CYP2D6ADH1BADH1CADH1A | |
| SCHEMBL7920214 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2D6 | |
| SCHEMBL7920217 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2D6 | |
| SCHEMBL6435931 | 0.76 | — | — | |
| SCHEMBL20695818 | 0.72 | CYP1A2 (0.39) | CYP1A2CYP2D6 | |
| SCHEMBL11700916 | 0.72 | CYP1A2 (0.39) | CYP1A2CYP2D6 | |
| SCHEMBL9486764 | 0.72 | CYP1A2 (0.42) | CYP1A2CYP2D6 | |
| SCHEMBL5547886 | 0.72 | CA1 (0.50) | CYP1A2CYP2D6 |
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-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |