Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 17/20 | 0.53 |
| ▸ | ESR1 | P03372 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6452830 | 1.00 | ESR2 (0.53) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL6459096 | 0.88 | ESR2 (0.51) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL6459090 | 0.88 | ESR2 (0.51) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL11029513 | 0.85 | ESR2 (0.35) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL6455405 | 0.85 | ESR2 (0.49) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL6455400 | 0.85 | ESR2 (0.49) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL10762155 | 0.85 | ESR2 (0.62) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL10762150 | 0.85 | ESR2 (0.62) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL10894056 | 0.85 | ESR2 (0.62) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL6453234 | 0.84 | DRD2 (0.44) | ESR2ESR1CYP3A4CYP2C9 |
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 |