Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL14766848 | 0.91 | S1PR1 (0.39) | S1PR1CNR2GABRA1GABRB2CYP17A1 | |
| SCHEMBL12738913 | 0.90 | GRM2 (0.35) | S1PR1CNR2GABRA1GABRB2CYP17A1 | |
| SCHEMBL14765977 | 0.88 | S1PR1 (0.38) | S1PR1NAAACNR2GABRA1GABRB2 | |
| SCHEMBL12738915 | 0.87 | CYP11B1 (0.34) | S1PR1CNR2GABRA1GABRB2CYP17A1 | |
| SCHEMBL12738916 | 0.87 | GRM2 (0.35) | S1PR1CNR2CYP17A1CNR1 | |
| SCHEMBL14766449 | 0.86 | S1PR1 (0.41) | S1PR1CNR2GABRA1GABRB2CNR1 | |
| SCHEMBL12822325 | 0.86 | S1PR1 (0.32) | S1PR1CYP17A1 | |
| SCHEMBL14766723 | 0.85 | CNR2 (0.39) | S1PR1CNR2GABRA1GABRB2CNR1 | |
| SCHEMBL14766450 | 0.85 | S1PR1 (0.40) | S1PR1NAAACNR2CYP17A1 | |
| SCHEMBL12735667 | 0.85 | S1PR1 (0.35) | S1PR1CNR2GABRA1GABRB2CYP17A1 |
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-8394294-B2 | Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-03-12 | — | — | US | disclosed |