Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8768352 | 1.00 | ESR2 (0.41) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8767920 | 0.97 | ESR2 (0.41) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8767929 | 0.97 | ESR2 (0.41) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8767263 | 0.94 | ESR2 (0.43) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8767259 | 0.94 | ESR2 (0.43) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8768313 | 0.88 | ESR2 (0.39) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8768317 | 0.88 | ESR2 (0.39) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL9764302 | 0.87 | CYP2C9 (0.42) | ESR2CYP2C9CYP2D6 | |
| SCHEMBL9764310 | 0.87 | CYP2C9 (0.42) | ESR2CYP2C9CYP2D6 | |
| SCHEMBL8735076 | 0.86 | CYP2C9 (0.47) | ESR2ESR1CYP3A4CYP2C9DGAT1 |
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-0789067-A1 | Cyclopentyl derivatives useful as liquid crystals | Rolic AG (CH) | 1997-08-13 | — | — | EP | disclosed |