Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL7735125 | 0.90 | CYP1A2 (0.49) | CYP1A2CYP2D6TDP1CHRM1 | |
| SCHEMBL2379725 | 0.90 | CYP1A2 (0.49) | CYP1A2CYP2D6TDP1CHRM1 | |
| SCHEMBL23442152 | 0.87 | — | — | |
| SCHEMBL13021351 | 0.85 | CYP1A2 (0.44) | CYP1A2CYP2D6TDP1CHRM1 | |
| SCHEMBL23524459 | 0.84 | CYP1A2 (0.34) | CYP1A2CYP2D6CHRM1 | |
| SCHEMBL811603 | 0.79 | CYP1A2 (0.34) | CYP1A2CYP2D6TDP1CHRM1 | |
| SCHEMBL899129 | 0.79 | GBA1 (0.34) | CYP1A2CYP2D6TDP1 | |
| SCHEMBL14626815 | 0.79 | CYP2D6 (0.38) | CYP1A2CYP2D6TDP1 | |
| SCHEMBL899404 | 0.78 | TDP1 (0.39) | TDP1 | |
| SCHEMBL821002 | 0.78 | TDP1 (0.39) | CYP1A2CYP2D6TDP1 |
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-0105651-A1 | Bicyclo(3.3.0)octane derivatives | ONO PHARMACEUTICAL CO., LTD. (JP) | 1984-04-18 | — | — | EP | disclosed |