Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9474134 | 1.00 | ESR1 (0.46) | ESR1ESR2OPRK1ADRA2AADORA3 | |
| SCHEMBL11582747 | 0.94 | ESR1 (0.52) | ESR1ESR2OPRK1ADRA2AADORA3 | |
| SCHEMBL11210242 | 0.88 | ESR1 (0.53) | ESR1ESR2ADRA2AADORA3SLC6A2 | |
| SCHEMBL18074 | 0.87 | ESR1 (0.48) | ESR1ESR2OPRK1ADRA2AADORA3 | |
| SCHEMBL10355273 | 0.86 | ESR1 (0.56) | ESR1ESR2ADRA2AADORA3SLC6A2 | |
| SCHEMBL10355562 | 0.86 | ESR1 (0.56) | ESR1ESR2ADRA2AADORA3SLC6A2 | |
| SCHEMBL11527913 | 0.83 | MMP12 (0.49) | ALDH1A1KCNH2CYP1A2CYP2D6TAAR1 | |
| SCHEMBL105717 | 0.83 | ESR1 (0.55) | ESR1ESR2OPRK1ADRA2AADORA3 | |
| SCHEMBL24389390 | 0.83 | ESR1 (0.52) | ESR1ESR2OPRK1ADRA2AADORA3 | |
| SCHEMBL28856310 | 0.82 | ESR1 (0.52) | ESR1ESR2OPRK1ADRA2AADORA3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5250222-A | Optically active compounds used for liquid crystalline mixtures | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0304738-A2 | Optically active liquid-crystal components | F. HOFFMANN-LA ROCHE AG (CH) | 1989-03-01 | — | — | EP | disclosed |
| EP-0136845-B1 | LIQUID CRYSTALLINE CARBONIC ACID ESTERS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME | Chisso Corporation (JP) | 1988-06-01 | — | — | EP | disclosed |
| US-4589996-A | DISPLAY ELEMENTS;HIGH RESPONSE VELOCITY | CHISSO CORPORATION (JP) | 1986-05-20 | — | — | US | disclosed |
| EP-0136845-A2 | Liquid crystalline carbonic acid esters and liquid crystal compositions containing the same | Chisso Corporation (JP) | 1985-04-10 | — | — | EP | disclosed |