Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | ALKBH3 | Q96Q83 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16871115 | 0.89 | ESR2 (0.40) | ESR2HSD17B1ESR1TDP1CA1 | |
| SCHEMBL16871066 | 0.87 | ESR2 (0.35) | ESR2HSD17B1ESR1ALDH1A1CYP3A4 | |
| SCHEMBL19618901 | 0.84 | ESR2 (0.43) | ESR2HSD17B1PDK2ESR1ALDH1A1 | |
| SCHEMBL22111431 | 0.84 | ESR2 (0.43) | ESR2HSD17B1PDK2ESR1ALDH1A1 | |
| SCHEMBL16871134 | 0.83 | PDE3B (0.41) | PDK2CYP3A4PTGS2 | |
| SCHEMBL14733217 | 0.82 | ACHE (0.42) | ALDH1A1TDP1MCL1PTGS2CA1 | |
| SCHEMBL16871272 | 0.82 | ACHE (0.42) | ALDH1A1TDP1MCL1PTGS2CA1 | |
| SCHEMBL16871273 | 0.81 | PTGS2 (0.34) | ESR2ESR1TDP1PTGS2 | |
| SCHEMBL18308786 | 0.79 | ESR2 (0.37) | ESR2HSD17B1PDK2ESR1ALDH1A1 | |
| SCHEMBL14173109 | 0.79 | ESR2 (0.55) | ESR2HSD17B1ESR1MCL1CA12 |
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-9428693-B2 | Liquid crystal composition having negative dielectric anisotropy | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-08-30 | — | — | US | disclosed |
| US-20150184075-A1 | Liquid Crystal Composition Having Negative Dielectric Anisotropy | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2015-07-02 | — | — | US | disclosed |