Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Diphenylmethanol SCHEMBL4184366 | 0.89 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19KCNA5TRPA1 | |
| SCHEMBL1698191 | 0.86 | CYP2C9 (0.67) | CYP1A2CYP2C9CYP2C19KCNA5TRPA1 | |
| Ammonia Solution, Strong SCHEMBL8959000 | 0.84 | CYP2C9 (0.64) | CYP1A2CYP2C9CYP2C19KCNA5TRPA1 | |
| SCHEMBL7019811 | 0.73 | MEN1 (0.51) | CYP1A2CYP2C9CYP2C19LMNAMAPK1 | |
| SCHEMBL7020533 | 0.73 | CYP19A1 (0.56) | CYP1A2CYP2C9CYP2C19LMNAMAPK1 | |
| SCHEMBL2889714 | 0.72 | LMNA (0.62) | CYP2C9CYP2C19KDM4ELMNAMAPK1 | |
| SCHEMBL3055513 | 0.72 | LMNA (0.62) | CYP2C9CYP2C19KDM4ELMNAMAPK1 | |
| SCHEMBL915218 | 0.72 | LMNA (0.62) | CYP2C9CYP2C19KDM4ELMNAMAPK1 | |
| SCHEMBL29674753 | 0.72 | LMNA (0.62) | CYP2C9CYP2C19KDM4ELMNAMAPK1 | |
| SCHEMBL1417856 | 0.72 | LMNA (0.62) | CYP2C9CYP2C19KDM4ELMNAMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8349415-B2 | Liquid-crystalline medium and liquid-crystal display having high twist | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2013-01-08 | — | — | US | disclosed |
| US-20110315924-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY HAVING HIGH TWIST | MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DD) | 2011-12-29 | — | — | US | disclosed |