Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.50 |
| ▸ | AR | P10275 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16982145 | 0.85 | ESR2 (0.50) | ESR1ESR2NQO1TAAR1CA12 | |
| SCHEMBL156893 | 0.84 | CA1 (0.50) | ESR1ESR2ARAKR1C3TAAR1 | |
| SCHEMBL14087818 | 0.83 | NQO1 (0.61) | ESR1ESR2ARAKR1C3NQO1 | |
| SCHEMBL12754535 | 0.81 | AR (0.40) | ESR1ESR2ARAKR1C3NQO1 | |
| Fluoride SCHEMBL31295675 | 0.81 | CA1 (0.47) | ESR1ESR2ARAKR1C3TAAR1 | |
| SCHEMBL28360147 | 0.81 | CA1 (0.47) | ESR1ESR2ARAKR1C3TAAR1 | |
| SCHEMBL29319706 | 0.79 | ABL1 (0.48) | ESR1ESR2ARAKR1C3NQO1 | |
| Ethane SCHEMBL27965993 | 0.78 | CA1 (0.45) | ESR1ESR2ARTAAR1CA12 | |
| SCHEMBL2868026 | 0.78 | ESR1 (0.50) | ESR1ESR2ARNQO1TAAR1 | |
| SCHEMBL30332163 | 0.78 | ESR1 (0.44) | ESR1ESR2ARNQO1TAAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9611429-B2 | Liquid crystal medium, optical device and liquid crystal compound | JNC CORPORATION (JP) | 2017-04-04 | — | — | US | disclosed |
| US-9611429-B2 | Liquid crystal medium, optical device and liquid crystal compound | JNC CORPORATION (JP) | 2017-04-04 | — | — | US | disclosed |
| US-20160122648-A1 | LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND | JNC CORPORATION (JP) | 2016-05-05 | — | — | US | disclosed |
| US-20160122648-A1 | LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND | JNC CORPORATION (JP) | 2016-05-05 | — | — | US | disclosed |
| EP-0846670-A1 | CYCLOHEXANE DERIVATIVES AND LIQUID-CRYSTAL COMPOSITIONS | CHISSO CORPORATION (JP) | 1998-06-10 | — | — | EP | disclosed |