Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10686070 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10689018 | 0.99 | ALDH1A1 (0.51) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10689062 | 0.96 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10688312 | 0.96 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10689075 | 0.96 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10688295 | 0.96 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10689068 | 0.96 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10688304 | 0.96 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10690345 | 0.94 | ALDH1A1 (0.47) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 | |
| SCHEMBL10690340 | 0.94 | ALDH1A1 (0.47) | ALDH1A1CHRM2CHRM3CHRM5CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4755323-A | Mixture of liquid crystalline compounds including substituted para-dioxane | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-05 | — | — | US | disclosed |