Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 11/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 8/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.32 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.32 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.32 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL256016 | 0.82 | ALDH1A1 (0.50) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL11219791 | 0.80 | ALDH1A1 (0.54) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL20732767 | 0.80 | ALDH1A1 (0.54) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL1470315 | 0.78 | ALDH1A1 (0.56) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL1469745 | 0.78 | ALDH1A1 (0.56) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL1471935 | 0.78 | ALDH1A1 (0.56) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL1470343 | 0.78 | ALDH1A1 (0.56) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL13412536 | 0.78 | ALDH1A1 (0.56) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL6814961 | 0.77 | EPHX1 (0.45) | ALDH1A1EPHX1ENPP2LPAR2PRKD3 | |
| SCHEMBL11983845 | 0.75 | ALDH1A1 (0.41) | ALDH1A1EPHX1SPHK2SPHK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994868-A1 | METHOD FOR PREPARING OPTICALLY ACTIVE 5-METHYL-2- (1-METHYL-BUTYL)-5-PROPYL-1,3-DIOXAN | Cognis Deutschland GmbH (DE) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999002515-A1 | METHOD FOR PREPARING OPTICALLY ACTIVE 5-METHYL-2- (1-METHYL-BUTYL)-5-PROPYL-1,3-DIOXAN | COGNIS DEUTSCHLAND GMBH (DE) | 1999-01-21 | — | — | WO | disclosed |