Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15744988 | 0.83 | CYP2C9 (0.35) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL12976916 | 0.81 | CYP2C9 (0.35) | CYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL15744609 | 0.81 | CYP2C9 (0.31) | CYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL15744482 | 0.80 | CYP2C9 (0.37) | CYP2C9MAPTALDH1A1LMNATP53 | |
| SCHEMBL13002757 | 0.78 | CYP19A1 (0.34) | ALDH1A1 | |
| SCHEMBL18310551 | 0.77 | NPC1 (0.33) | CYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL19824448 | 0.77 | CYP2C9 (0.50) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL9561988 | 0.77 | TLR4 (0.39) | CYP2C9MAPTALDH1A1LMNAPOLB | |
| SCHEMBL9502487 | 0.77 | TLR4 (0.39) | CYP2C9MAPTALDH1A1LMNAPOLB | |
| SCHEMBL11040168 | 0.77 | TLR4 (0.39) | CYP2C9MAPTALDH1A1LMNAPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2735599-A1 | Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device | JNC Corporation (JP) | 2014-05-28 | — | — | EP | disclosed |