Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 2/20 | 0.32 |
| ▸ | LCT | P09848 | 2/20 | 0.32 |
| ▸ | UGCG | Q16739 | 2/20 | 0.32 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | RARA | P10276 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 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 | |
|---|---|---|---|---|
| SCHEMBL8937185 | 0.95 | HRH3 (0.32) | GBA1LCTUGCGGBA2MGAM | |
| SCHEMBL8937189 | 0.85 | — | — | |
| SCHEMBL9014977 | 0.84 | GBA1 (0.34) | GBA1LCTUGCGGBA2MGAM | |
| SCHEMBL15255887 | 0.83 | RARB (0.33) | HRH3RARB | |
| SCHEMBL12999719 | 0.83 | GBA1 (0.33) | GBA1LCTUGCGGBA2MGAM | |
| SCHEMBL13000120 | 0.81 | CNR1 (0.32) | RARB | |
| SCHEMBL10163944 | 0.79 | NAAA (0.35) | HRH3 | |
| SCHEMBL13263194 | 0.79 | RARB (0.35) | CYP3A4TSHRRARARARB | |
| SCHEMBL12738766 | 0.79 | S1PR1 (0.42) | RARARARB | |
| SCHEMBL13000143 | 0.79 | CTSL (0.31) | — |
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 |