Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13614719 | 0.93 | FASN (0.43) | FASNESR2PDE3BPDE3ACYP3A4 | |
| SCHEMBL13615177 | 0.89 | FASN (0.40) | FASNESR2PDE3BPDE3ACYP3A4 | |
| SCHEMBL13636374 | 0.86 | ESR2 (0.42) | FASNESR2PDE3BPDE3ACYP3A4 | |
| SCHEMBL91870 | 0.84 | FASN (0.43) | FASNESR2CYP3A4CYP2C9APP | |
| SCHEMBL91927 | 0.83 | FASN (0.42) | FASNESR2CYP3A4CYP2C9APP | |
| SCHEMBL4431638 | 0.83 | FASN (0.42) | FASNESR2CYP3A4CYP2C9APP | |
| SCHEMBL13614726 | 0.82 | FASN (0.41) | FASNESR2CYP3A4CYP2C9APP | |
| SCHEMBL14206989 | 0.82 | FASN (0.41) | FASNESR2PDE3BPDE3ACYP3A4 | |
| SCHEMBL14206983 | 0.82 | FASN (0.41) | FASNESR2CYP3A4CYP2C9APP | |
| SCHEMBL14214748 | 0.82 | ESR2 (0.47) | FASNESR2CYP3A4CYP2C9APP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |