Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.34 |
| ▸ | PRKCG | P05129 | 2/20 | 0.34 |
| ▸ | PRKCB | P05771 | 2/20 | 0.34 |
| ▸ | PRKCA | P17252 | 2/20 | 0.34 |
| ▸ | PRKCH | P24723 | 2/20 | 0.34 |
| ▸ | PRKCI | P41743 | 2/20 | 0.34 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.34 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.34 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.34 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL7678940 | 0.98 | EPHX1 (0.62) | EPHX1ALDH1A1CYP1A2TDP1SMN1; SMN2 | |
| SCHEMBL2997425 | 0.79 | EPHX1 (0.62) | EPHX1ALDH1A1PRKD3PRKCGPRKCB | |
| SCHEMBL7674359 | 0.78 | EPHX1 (0.60) | EPHX1ALDH1A1CYP1A2PRKD3PRKCG | |
| SCHEMBL7678863 | 0.78 | EPHX1 (0.60) | EPHX1ALDH1A1CYP1A2TDP1PRKD3 | |
| SCHEMBL9899314 | 0.78 | — | — | |
| SCHEMBL9113344 | 0.77 | ALDH1A1 (0.69) | EPHX1ALDH1A1CYP1A2TDP1SMN1; SMN2 | |
| SCHEMBL25303980 | 0.76 | EPHX1 (1.00) | EPHX1ALDH1A1CYP1A2TDP1SMN1; SMN2 | |
| SCHEMBL2731115 | 0.76 | EPHX1 (1.00) | EPHX1ALDH1A1CYP1A2TDP1SMN1; SMN2 | |
| SCHEMBL25262887 | 0.76 | EPHX1 (1.00) | EPHX1ALDH1A1CYP1A2TDP1SMN1; SMN2 | |
| SCHEMBL12956511 | 0.76 | EPHX1 (1.00) | EPHX1ALDH1A1CYP1A2TDP1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0927176-B1 | 1,3-DIOXANE DERIVATIVES, SYNTHESIS METHOD THEREFOR AND AROMATIC COMPOSITIONS CONTAINING SAME | PERNOD RICARD (FR) | 2001-05-30 | — | — | EP | disclosed |