Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | PROKR1 | Q8TCW9 | 3/20 | 0.31 |
| ▸ | FPR2 | P25090 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL7782497 | 1.00 | KCNH2 (0.34) | KCNH2SIGMAR1PROKR1FPR2SLC6A2 | |
| SCHEMBL7782489 | 0.93 | SIGMAR1 (0.34) | KCNH2SIGMAR1PROKR1FPR2 | |
| SCHEMBL7782490 | 0.93 | SIGMAR1 (0.34) | KCNH2SIGMAR1PROKR1FPR2 | |
| SCHEMBL7781574 | 0.92 | SIGMAR1 (0.36) | KCNH2SIGMAR1PROKR1FPR2 | |
| SCHEMBL7781575 | 0.92 | SIGMAR1 (0.36) | KCNH2SIGMAR1PROKR1FPR2 | |
| SCHEMBL7782188 | 0.90 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7782190 | 0.90 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7781724 | 0.84 | — | — | |
| SCHEMBL7781727 | 0.84 | — | — | |
| SCHEMBL7778824 | 0.83 | MAOB (0.33) | TAAR1DRD4 |
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 |