Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL91715 | 0.86 | SLC6A2 (0.32) | ARSLC6A2P2RY14ESR1ESR2 | |
| SCHEMBL91808 | 0.84 | AR (0.31) | AR | |
| SCHEMBL91756 | 0.82 | AR (0.33) | ARHSD17B1HSD17B2 | |
| SCHEMBL91733 | 0.81 | ESR1 (0.37) | ARHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL91725 | 0.81 | NR1H4 (0.35) | ESR1 | |
| SCHEMBL91753 | 0.71 | — | — | |
| SCHEMBL91718 | 0.71 | ESR1 (0.37) | HSD17B1HSD17B2RAPGEF4ESR1ESR2 | |
| SCHEMBL91700 | 0.70 | S1PR1 (0.43) | ARHSD17B1HSD17B2RAPGEF4 | |
| SCHEMBL91739 | 0.69 | FFAR4 (0.31) | — | |
| SCHEMBL6382158 | 0.69 | ALDH1A1 (0.40) | RAPGEF4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |