Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9006690 | 0.98 | CYP1A2 (0.31) | CYP1A2CYP3A4ABCB11LMNACHRM2 | |
| SCHEMBL15066450 | 0.89 | CYP1A2 (0.40) | CYP1A2CYP3A4ABCB11LMNACHRM2 | |
| SCHEMBL11055433 | 0.88 | — | — | |
| SCHEMBL21462929 | 0.87 | CYP1A2 (0.39) | CYP1A2SIGMAR1 | |
| Phosphine SCHEMBL27991039 | 0.87 | CYP1A2 (0.39) | CYP1A2CYP3A4ABCB11LMNACHRM2 | |
| SCHEMBL8861264 | 0.87 | CYP1A2 (0.39) | CYP1A2SIGMAR1 | |
| Phosphine SCHEMBL27990687 | 0.87 | CYP1A2 (0.39) | CYP1A2CYP3A4ABCB11LMNACHRM2 | |
| SCHEMBL2748993 | 0.86 | CYP1A2 (0.38) | CYP1A2SIGMAR1 | |
| SCHEMBL8861201 | 0.86 | CYP1A2 (0.38) | CYP1A2SIGMAR1 | |
| SCHEMBL714223 | 0.86 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1690916-B1 | Mesogenic compounds, liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2008-03-12 | — | — | EP | disclosed |
| EP-1690916-A1 | Mesogenic compounds, liquid crystal medium and liquid crystal display | MERCK PATENT GmbH (DE) | 2006-08-16 | — | — | EP | disclosed |
| EP-0334845-B1 | LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES | The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) | 1992-05-06 | — | — | EP | disclosed |
| US-5037576-A | Ferroelectric; increased polarization | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1991-08-06 | — | — | US | disclosed |
| EP-0387315-A1 | FLUORINATED ALKOXYL COMPOUNDS. | MERCK PATENT GMBH (DE) | 1990-09-19 | — | — | EP | disclosed |
| WO-1990001021-A1 | FLUORINATED ALKOXYL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-02-08 | — | — | WO | disclosed |
| WO-1988002390-A2 | LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) | 1988-04-07 | — | — | WO | disclosed |