Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.34 |
| ▸ | PDE2A | O00408 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8748173 | 0.94 | HCRTR1 (0.34) | HCRTR1HCRTR2KCNH2EPHX2PDE2A | |
| SCHEMBL8747919 | 0.93 | SPHK1 (0.34) | HCRTR1HCRTR2KCNH2EPHX2PDE2A | |
| SCHEMBL8747938 | 0.92 | SPHK1 (0.36) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL8747937 | 0.92 | SPHK1 (0.36) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL8834424 | 0.88 | CYP2C9 (0.32) | CYP2C9KCNH2ALDH1A1LMNAMAPT | |
| SCHEMBL8048717 | 0.88 | KCNH2 (0.37) | HCRTR1HCRTR2KCNH2EPHX2PDE2A | |
| SCHEMBL8748005 | 0.88 | CYP2C9 (0.38) | CYP2C9HCRTR1HCRTR2ALDH1A1LMNA | |
| SCHEMBL8747864 | 0.87 | CYP2C9 (0.37) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8048566 | 0.87 | KCNH2 (0.39) | HCRTR1HCRTR2KCNH2EPHX2PDE2A | |
| SCHEMBL17487695 | 0.86 | FFAR4 (0.34) | CYP2C9HCRTR1HCRTR2KCNH2ALDH1A1 |
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 |