Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9057114 | 1.00 | TLR4 (0.36) | TLR4MAPTCYP2C9ALDH1A1LMNA | |
| SCHEMBL9057106 | 1.00 | TLR4 (0.36) | TLR4MAPTCYP2C9ALDH1A1LMNA | |
| SCHEMBL1678958 | 0.88 | — | — | |
| SCHEMBL7523966 | 0.80 | THRB (0.37) | MAPTCYP2C9ALDH1A1LMNAMEN1 | |
| SCHEMBL9055508 | 0.78 | TLR4 (0.34) | TLR4MAPT | |
| SCHEMBL9055507 | 0.78 | TLR4 (0.34) | TLR4MAPT | |
| SCHEMBL5836340 | 0.78 | TLR4 (0.42) | TLR4MAPTCYP2C9ALDH1A1LMNA | |
| SCHEMBL5836344 | 0.78 | TLR4 (0.42) | TLR4MAPTCYP2C9ALDH1A1LMNA | |
| SCHEMBL6697654 | 0.78 | TLR4 (0.42) | TLR4MAPTCYP2C9ALDH1A1LMNA | |
| SCHEMBL14398008 | 0.78 | CYP1A2 (0.46) | ALDH1A1KMT2A |
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-0735015-A2 | A liquid crystal compound having (a) deuterium atom (s) and a liquid crystal composition comprising the said compound | CHISSO CORPORATION (JP) | 1996-10-02 | — | — | EP | disclosed |