Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3480990 | 0.78 | CNR2 (0.42) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL3133878 | 0.71 | HTR2C (0.38) | HAO1 | |
| SCHEMBL251315 | 0.67 | ALDH1A1 (0.41) | CYP3A4HAO1 | |
| SCHEMBL930221 | 0.67 | ESR2 (0.42) | CYP3A4HAO1ESR2 | |
| SCHEMBL7741316 | 0.67 | ESR2 (0.44) | CYP3A4ESR1ESR2CYP2D6CYP2C9 | |
| SCHEMBL7741318 | 0.67 | ESR2 (0.44) | CYP3A4ESR1ESR2CYP2D6CYP2C9 | |
| SCHEMBL9252154 | 0.67 | CYP19A1 (0.35) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL6275125 | 0.66 | HDAC8 (0.52) | HAO1ESR2 | |
| SCHEMBL15260520 | 0.66 | HDAC8 (0.52) | HAO1ESR2 | |
| SCHEMBL28584923 | 0.66 | HDAC8 (0.52) | HAO1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0891314-A1 | BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS | CHISSO CORPORATION (JP) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997034855-A1 | BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS | CHISSO CORPORATION (JP) | 1997-09-25 | — | — | WO | disclosed |