Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7733705 | 1.00 | KDM4E (0.39) | KDM4EALDH1A1POLBESR2JAK2 | |
| SCHEMBL6578876 | 0.85 | POLB (0.46) | POLBESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL22929 | 0.85 | — | — | |
| SCHEMBL1399533 | 0.84 | SLC18A3 (0.48) | KDM4EALDH1A1SLC18A3SIGMAR1 | |
| SCHEMBL30909 | 0.84 | ESR2 (0.41) | ALDH1A1POLBESR2ESR1CYP3A4 | |
| SCHEMBL10343084 | 0.84 | SLC18A3 (0.48) | KDM4EALDH1A1SLC18A3SIGMAR1 | |
| SCHEMBL11623457 | 0.81 | ESR2 (0.59) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL7305798 | 0.81 | SLC18A3 (0.40) | KDM4EALDH1A1POLBESR2ESR1 | |
| SCHEMBL7298806 | 0.81 | SLC18A3 (0.40) | KDM4EALDH1A1POLBESR2ESR1 | |
| SCHEMBL11615675 | 0.81 | SLC18A3 (0.40) | KDM4EALDH1A1POLBESR2JAK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929508-B1 | LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | QINETIQ LTD (GB) | 2002-03-20 | — | — | EP | disclosed |
| US-6333082-B1 | USEFUL IN SUPER TWISTED NEMATIC LIQUID CRYSTAL DISPLAYS | QINETIQ LTD (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-0929508-A1 | LIQUID CRYSTALLINE ($i(E,E))-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998013325-A1 | LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1998-04-02 | — | — | WO | disclosed |