Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8028338 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8028344 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8747977 | 0.99 | CYP3A4 (0.39) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8748227 | 0.99 | CYP3A4 (0.39) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8029837 | 0.99 | DAO (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8747944 | 0.97 | DAO (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8748064 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8747948 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8747900 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8031345 | 0.95 | DAO (0.41) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 |
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-6013198-A | LIQUID CRYSTALLINE COMPOUNDS MODIFIED TO HAVE A TRIFLUOROMETHYLPHENYL GROUP OR TRIFLUOROMETHOXYPHENYL GROUP AS EXAMPLE OF KNOWN TERMINAL SUBSTITUENT; CHEMICAL STABILITY, HIGH VOLTAGE HOLDING RATIO, GOOD UV STABILITY | CHISSO CORPORATION (JP) | 2000-01-11 | — | — | US | disclosed |
| EP-0761799-A1 | Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device | Chisso Corporation (JP) | 1997-03-12 | — | — | EP | disclosed |