Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9055758 | 1.00 | TLR4 (0.42) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL9055762 | 1.00 | TLR4 (0.42) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL12511462 | 0.88 | — | — | |
| SCHEMBL6523843 | 0.82 | MAPT (0.47) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL8216896 | 0.82 | TLR4 (0.50) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL6523850 | 0.82 | MAPT (0.47) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL6523852 | 0.82 | MAPT (0.47) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL24029527 | 0.82 | TDP1 (0.38) | CYP2C9ALDH1A1MAPTLMNAKMT2A | |
| SCHEMBL16704850 | 0.80 | TLR4 (0.44) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10791345 | 0.80 | ALDH1A1 (0.34) | CYP2C9ALDH1A1MAPTLMNAKMT2A |
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 |