Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 4/20 | 0.49 |
| ▸ | RARB | P10826 | 3/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9124494 | 1.00 | NR5A1 (0.55) | NR5A1LTA4HRARBSLC2A1PLA2G4B | |
| SCHEMBL9049888 | 0.99 | NR5A1 (0.53) | NR5A1LTA4HRARBSLC2A1PLA2G4B | |
| SCHEMBL8374339 | 0.96 | NR5A1 (0.60) | NR5A1LTA4HSLC2A1PLA2G4BCYP3A4 | |
| SCHEMBL7795401 | 0.90 | RAB9A (0.47) | NR5A1LTA4HRARBPLA2G4BCYP3A4 | |
| SCHEMBL9502936 | 0.90 | LTA4H (0.54) | NR5A1LTA4HSLC2A1PLA2G4BCYP2D6 | |
| SCHEMBL8020825 | 0.88 | RARB (0.52) | NR5A1LTA4HRARBSLC2A1PLA2G4B | |
| SCHEMBL7794972 | 0.85 | NR5A1 (0.42) | NR5A1LTA4HRARBCYP3A4SLC6A2 | |
| SCHEMBL6656810 | 0.85 | LPL (0.43) | NR5A1RARBSLC2A1PLA2G4BCYP3A4 | |
| SCHEMBL13310859 | 0.84 | S1PR1 (0.52) | RARBCYP3A4SLC6A2ESR1ADRA2A | |
| SCHEMBL8023518 | 0.84 | S1PR1 (0.52) | RARBCYP3A4SLC6A2ESR1ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5393459-A | Optically active compounds, and a liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-28 | — | — | US | disclosed |
| EP-0428720-A1 | OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE. | MERCK PATENT GMBH (DE) | 1991-05-29 | — | — | EP | disclosed |
| WO-1990013611-A2 | OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-15 | — | — | WO | disclosed |