Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.51 |
| ▸ | ESR1 | P03372 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10338526 | 0.94 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL4803893 | 0.92 | CYP2C9 (0.69) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL4803899 | 0.92 | CYP2C9 (0.69) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9152165 | 0.90 | CYP2C9 (0.67) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2383638 | 0.88 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2383566 | 0.88 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL10893211 | 0.86 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9159110 | 0.86 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9159105 | 0.86 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2383177 | 0.86 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103725292-B | Negative dielectric anisotropy liquid crystal compound and liquid crystal composition comprising same | DAXIN MATERIALS CORP. (CN) | 2016-01-20 | — | — | CN | disclosed |