Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6456856 | 1.00 | ESR2 (0.34) | ESR2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12228209 | 0.90 | ESR2 (0.42) | ESR2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14228597 | 0.85 | ALOX5 (0.34) | — | |
| SCHEMBL20052522 | 0.84 | ALOX5 (0.36) | — | |
| SCHEMBL14228603 | 0.83 | ESR2 (0.33) | ESR2 | |
| SCHEMBL6455715 | 0.81 | ESR2 (0.31) | ESR2 | |
| SCHEMBL6455709 | 0.81 | ESR2 (0.31) | ESR2 | |
| SCHEMBL17827799 | 0.80 | CES2 (0.31) | — | |
| SCHEMBL10018741 | 0.78 | ESR2 (0.31) | ESR2 | |
| SCHEMBL6455441 | 0.77 | KDM1A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |