Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL18751092 | 0.91 | HRH3 (0.33) | PPARACHRNB4CHRNA3FFAR1FFAR4 | |
| SCHEMBL14126541 | 0.91 | HRH3 (0.35) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2 | |
| SCHEMBL14752906 | 0.84 | PPARA (0.43) | PPARALTA4HEPHX2FFAR4ALDH1A1 | |
| SCHEMBL14126473 | 0.83 | PPARA (0.43) | PPARALTA4HEPHX2FFAR4ALDH1A1 | |
| SCHEMBL14235845 | 0.81 | CHRNB4 (0.32) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2 | |
| SCHEMBL14127593 | 0.76 | RARB (0.40) | PPARALTA4HEPHX2ALDH1A1CYP3A4 | |
| SCHEMBL13808404 | 0.75 | — | — | |
| SCHEMBL16922719 | 0.75 | — | — | |
| SCHEMBL21531832 | 0.75 | PPARA (0.39) | PPARALTA4HEPHX2FFAR4ALDH1A1 | |
| SCHEMBL14126540 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013034219-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2013-03-14 | — | — | WO | disclosed |