Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | CALML3 | P27482 | 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 | |
|---|---|---|---|---|
| SCHEMBL880992 | 0.92 | — | — | |
| SCHEMBL13171680 | 0.91 | CYP11B1 (0.33) | CYP11B1CYP11B2 | |
| SCHEMBL2741550 | 0.87 | CYP11B1 (0.35) | CYP11B1CYP11B2HTR2AGRM2CALML3 | |
| SCHEMBL21919557 | 0.87 | CYP11B1 (0.35) | CYP11B1CYP11B2HTR2AGRM2CALML3 | |
| SCHEMBL13614968 | 0.86 | CYP11B1 (0.32) | CYP11B1CYP11B2HTR2AGRM2CALML3 | |
| SCHEMBL13615224 | 0.86 | — | — | |
| SCHEMBL13615257 | 0.86 | CYP11B1 (0.34) | CYP11B1CYP11B2HTR2AGRM2 | |
| SCHEMBL17147717 | 0.84 | CYP11B1 (0.31) | CYP11B1CYP11B2 | |
| SCHEMBL12656126 | 0.84 | CYP11B1 (0.31) | CYP11B1CYP11B2 | |
| SCHEMBL16501319 | 0.84 | PDE3B (0.38) | CYP11B1CYP11B2GRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |