Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL83469 | 0.92 | NQO1 (0.56) | NQO1ESR1ESR2ABCB1SIRT1 | |
| SCHEMBL83482 | 0.76 | ESR1 (0.44) | NQO1ESR1ESR2CNR2AR | |
| SCHEMBL14087818 | 0.74 | NQO1 (0.61) | NQO1ESR1ESR2ABCB1SIRT1 | |
| SCHEMBL14087817 | 0.74 | NQO1 (0.61) | NQO1ESR1ESR2SIRT1HSD17B1 | |
| SCHEMBL8735104 | 0.72 | ESR1 (0.50) | NQO1ESR1ESR2TAAR1HSD17B1 | |
| SCHEMBL16982145 | 0.72 | ESR2 (0.50) | NQO1ESR1ESR2TAAR1HSD17B1 | |
| SCHEMBL83362 | 0.71 | NQO1 (0.56) | NQO1ESR1ESR2SIRT1HSD17B1 | |
| SCHEMBL84014 | 0.71 | NQO1 (0.45) | NQO1ESR1ESR2ABCB1HSD17B1 | |
| SCHEMBL2868026 | 0.69 | ESR1 (0.50) | NQO1ESR1ESR2TAAR1CA12 | |
| SCHEMBL14087816 | 0.69 | NQO1 (0.54) | NQO1ESR1ESR2SIRT1HSD17B1 |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |