Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL7781730 | 1.00 | GRM2 (0.42) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL7781731 | 1.00 | GRM2 (0.42) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL7781418 | 0.96 | GRM2 (0.38) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL7781423 | 0.96 | GRM2 (0.38) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL7781429 | 0.96 | GRM2 (0.38) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL7778818 | 0.94 | GRM2 (0.40) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL7778822 | 0.94 | GRM2 (0.40) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL1934965 | 0.94 | GRM2 (0.46) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL4650784 | 0.94 | GRM2 (0.46) | GRM2TSHRHSD17B10HRH3CYP2A6 | |
| SCHEMBL9362814 | 0.92 | GRM2 (0.48) | GRM2TSHRHSD17B10HRH3CYP2A6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0732330-B1 | Di-1,3-dioxane derivatives useful as liquid crystals | ROLIC AG (CH) | 2001-09-12 | — | — | EP | disclosed |
| US-5667721-A | Liquid crystalline di-1,3-dioxane derivatives | ROLIC AG (CH) | 1997-09-16 | — | — | US | disclosed |
| EP-0732330-A1 | Di-1,3-dioxane derivatives useful as liquid crystals | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-18 | — | — | EP | disclosed |