Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7781576 | 1.00 | HTR2A (0.32) | HTR2AHTR2CHTR2BDRD3 | |
| SCHEMBL7774463 | 0.92 | HTR2A (0.31) | HTR2AHTR2CHTR2B | |
| SCHEMBL7774462 | 0.92 | HTR2A (0.31) | HTR2AHTR2CHTR2B | |
| SCHEMBL8997270 | 0.92 | HTR2A (0.36) | HTR2AHTR2CHTR2BDRD3 | |
| SCHEMBL7774299 | 0.91 | ALDH1A1 (0.30) | HTR2AHTR2CHTR2B | |
| SCHEMBL7774303 | 0.91 | ALDH1A1 (0.30) | HTR2AHTR2CHTR2B | |
| SCHEMBL7782360 | 0.89 | SLC6A2 (0.33) | — | |
| SCHEMBL7782361 | 0.89 | SLC6A2 (0.33) | — | |
| SCHEMBL9556038 | 0.86 | CYP2C9 (0.36) | HTR2AHTR2CHTR2BDRD3 | |
| SCHEMBL7779589 | 0.86 | — | — |
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 |