Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.33 |
| ▸ | FEN1 | P39748 | 3/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL8216560 | 1.00 | CYP2C9 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8215099 | 0.89 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8216667 | 0.89 | ALOX5AP (0.32) | CYP2C9ALOX5APFEN1OPRL1 | |
| SCHEMBL8216905 | 0.89 | ESR2 (0.33) | CYP2C9ESR2ALOX5APFEN1DGAT1 | |
| SCHEMBL8216052 | 0.89 | ALOX5AP (0.32) | CYP2C9ALOX5APFEN1OPRL1 | |
| SCHEMBL8217734 | 0.89 | ALDH1A1 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8215770 | 0.89 | ALDH1A1 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8216782 | 0.87 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8217720 | 0.87 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8208520 | 0.86 | FFAR4 (0.33) | ALOX5APFEN1 |
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 |