Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 3/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL20356033 | 0.80 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL5250287 | 0.79 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29943628 | 0.76 | HKDC1 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6690250 | 0.76 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL13755371 | 0.76 | ALDH1A1 (0.37) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL7300314 | 0.75 | CES2 (0.33) | — | |
| SCHEMBL5250290 | 0.75 | ACHE (0.39) | CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL20356032 | 0.71 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL23043391 | 0.68 | HKDC1 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29940073 | 0.68 | HKDC1 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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-7575785-B2 | use thereof in liquid-crystalline media, and and to electro-optical display elements containing these liquid-crystalline media; negative dielectric anisotropy | MERCK PATENT GMBH (DE) | 2009-08-18 | — | — | US | disclosed |
| US-7575785-B2 | use thereof in liquid-crystalline media, and and to electro-optical display elements containing these liquid-crystalline media; negative dielectric anisotropy | MERCK PATENT GMBH (DE) | 2009-08-18 | — | — | US | disclosed |