Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 5/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL7781337 | 1.00 | KDM1A (0.38) | KDM1ARCOR1HDAC3HDAC1HDAC2 | |
| SCHEMBL7774591 | 0.97 | KDM1A (0.37) | KDM1ARCOR1HDAC3HDAC1HDAC2 | |
| SCHEMBL7774593 | 0.97 | KDM1A (0.37) | KDM1ARCOR1HDAC3HDAC1HDAC2 | |
| SCHEMBL7778774 | 0.93 | KDM1A (0.39) | KDM1ARCOR1LIPESCN9ATSHR | |
| SCHEMBL7778778 | 0.93 | KDM1A (0.39) | KDM1ARCOR1LIPESCN9ATSHR | |
| SCHEMBL8997278 | 0.93 | KDM1A (0.42) | KDM1ARCOR1HDAC3HDAC1HDAC2 | |
| SCHEMBL8997285 | 0.89 | KDM1A (0.41) | KDM1ARCOR1HDAC3HDAC1HDAC2 | |
| SCHEMBL9060878 | 0.88 | KDM1A (0.40) | KDM1ARCOR1HDAC3HDAC1HDAC2 | |
| SCHEMBL9062380 | 0.88 | KDM1A (0.40) | KDM1ARCOR1HDAC3HDAC1HDAC2 | |
| SCHEMBL9061756 | 0.88 | KDM1A (0.40) | KDM1ARCOR1HDAC3HDAC1HDAC2 |
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 6 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 | claimed |
| US-5667721-A | Liquid crystalline di-1,3-dioxane derivatives | ROLIC AG (CH) | 1997-09-16 | — | — | US | claimed |
| EP-0732330-A1 | Di-1,3-dioxane derivatives useful as liquid crystals | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-18 | — | — | EP | claimed |
| 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 |