Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL7779267 | 1.00 | P2RX7 (0.35) | P2RX7KCNH2HCRTR1HCRTR2TMEM97 | |
| SCHEMBL7781460 | 0.94 | P2RX7 (0.34) | P2RX7KCNH2HCRTR1HCRTR2TMEM97 | |
| SCHEMBL7781455 | 0.94 | P2RX7 (0.34) | P2RX7KCNH2HCRTR1HCRTR2TMEM97 | |
| SCHEMBL7781482 | 0.86 | HCRTR1 (0.32) | HCRTR1HCRTR2 | |
| SCHEMBL7781483 | 0.86 | HCRTR1 (0.32) | HCRTR1HCRTR2 | |
| SCHEMBL7782188 | 0.85 | SLC6A2 (0.34) | — | |
| SCHEMBL7782190 | 0.85 | SLC6A2 (0.34) | — | |
| SCHEMBL7782314 | 0.84 | DRD4 (0.39) | HCRTR1HCRTR2 | |
| SCHEMBL7782311 | 0.84 | DRD4 (0.39) | HCRTR1HCRTR2 | |
| SCHEMBL7858801 | 0.84 | GRM2 (0.35) | P2RX7HCRTR1HCRTR2 |
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 |