Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782314 | 1.00 | DRD4 (0.39) | DRD4DRD2DRD3TSHRSLC6A4 | |
| SCHEMBL7778884 | 0.93 | DRD2 (0.38) | DRD4DRD2DRD3TSHRSLC6A4 | |
| SCHEMBL7778881 | 0.93 | DRD2 (0.38) | DRD4DRD2DRD3TSHRSLC6A4 | |
| SCHEMBL7781563 | 0.92 | DRD2 (0.37) | DRD4DRD2DRD3TSHRSLC6A4 | |
| SCHEMBL7781564 | 0.92 | DRD2 (0.37) | DRD4DRD2DRD3TSHRSLC6A4 | |
| SCHEMBL7781502 | 0.91 | DRD4 (0.42) | DRD4DRD2DRD3TSHRSLC6A4 | |
| SCHEMBL7781506 | 0.91 | DRD4 (0.42) | DRD4DRD2DRD3TSHRSLC6A4 | |
| SCHEMBL8885940 | 0.87 | LIPE (0.33) | HCRTR1HCRTR2 | |
| SCHEMBL8885946 | 0.87 | LIPE (0.33) | HCRTR1HCRTR2 | |
| SCHEMBL7781614 | 0.85 | MAOB (0.38) | TEAD1 |
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 |