Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 20/20 | 0.57 |
| ▸ | ESR1 | P03372 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10836669 | 1.00 | ESR2 (0.57) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL6457306 | 0.84 | BRD4 (0.40) | ESR2CYP3A4CYP2C9 | |
| SCHEMBL6457302 | 0.84 | BRD4 (0.40) | ESR2CYP3A4CYP2C9 | |
| SCHEMBL8069807 | 0.84 | GAA (0.46) | ESR2CYP2D6 | |
| SCHEMBL11031018 | 0.84 | GAA (0.46) | ESR2CYP2D6 | |
| SCHEMBL10835281 | 0.84 | GAA (0.46) | ESR2CYP2D6 | |
| SCHEMBL2150278 | 0.78 | ESR2 (0.78) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL2150282 | 0.78 | ESR2 (0.78) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL6453196 | 0.75 | NPY5R (0.30) | — | |
| SCHEMBL6453200 | 0.75 | NPY5R (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4600528-A | Decalin-carbonitriles | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-07-15 | — | — | US | disclosed |