Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8215834 | 0.93 | CYP2C9 (0.34) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8216097 | 0.93 | RARB (0.35) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL8208465 | 0.90 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8215097 | 0.86 | CYP2C9 (0.35) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8217708 | 0.85 | CYP2C9 (0.31) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8211953 | 0.85 | RARB (0.32) | — | |
| SCHEMBL8208567 | 0.85 | ALDH1A1 (0.37) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL8215006 | 0.84 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8214809 | 0.82 | RARB (0.36) | — | |
| SCHEMBL8214999 | 0.81 | SPHK1 (0.41) | SPHK1CYP2C9SPHK2 |
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-6117361-A | FOUR RING COMPOUND HAVING AN ALKYL GROUP SUBSTITUTED WITH ONE OR MORE ETHERS, AND A HALOGEN ATOM SUBSTITUTED BENZENE RING; BROAD TEMPERATURE RANGE OF NEMATIC PHASE, HIGHER MISCIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS, AND CHEMICAL STABILITY | CHISSO CORP. (JP) | 2000-09-12 | — | — | US | disclosed |
| EP-0891961-A1 | LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED 1,4-PHENYLENE SKELETONS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES | CHISSO CORPORATION (JP) | 1999-01-20 | — | — | EP | disclosed |