Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9015222 | 0.87 | HSD17B1 (0.33) | HSD17B1CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL8937913 | 0.86 | — | — | |
| SCHEMBL12511888 | 0.85 | ESR1 (0.32) | ESR2ESR1 | |
| SCHEMBL8937992 | 0.84 | TDP2 (0.35) | CYP17A1 | |
| SCHEMBL8937798 | 0.84 | — | — | |
| SCHEMBL12999725 | 0.84 | — | — | |
| SCHEMBL8937988 | 0.82 | HTR2C (0.35) | — | |
| SCHEMBL8937939 | 0.82 | CTSL (0.32) | — | |
| SCHEMBL8937978 | 0.82 | NAAA (0.35) | ESR1 | |
| SCHEMBL13263148 | 0.81 | ESR2 (0.40) | HSD17B1CYP17A1CYP3A4CYP11B1CYP11B2 |
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-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |