Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8082379 | 1.00 | ESR1 (0.42) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL8082375 | 1.00 | ESR1 (0.42) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL8610807 | 0.96 | ESR1 (0.40) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL8670207 | 0.89 | EPHX2 (0.34) | SMN1; SMN2ALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL8670203 | 0.89 | EPHX2 (0.34) | SMN1; SMN2ALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL6002317 | 0.87 | PNLIP (0.49) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL7529388 | 0.87 | PNLIP (0.49) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL9127457 | 0.87 | PNLIP (0.49) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL8603999 | 0.87 | PNLIP (0.49) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL8605430 | 0.87 | PNLIP (0.49) | ESR1CA12CA1CA2CA7 |
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-0559088-B1 | Dioxane type liquid crystal substance | MITSUBISHI GAS CHEMICAL CO (JP) | 1996-05-15 | — | — | EP | disclosed |
| US-5482651-A | ANTIFERROELECTRIC | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1996-01-09 | — | — | US | disclosed |
| EP-0559088-A1 | Dioxane type liquid crystal substance | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1993-09-08 | — | — | EP | disclosed |