Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.31 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | SCD | O00767 | 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 | |
|---|---|---|---|---|
| SCHEMBL8874497 | 0.91 | AKR1B1 (0.31) | — | |
| SCHEMBL9842984 | 0.88 | PPARA (0.36) | PPARASCD | |
| SCHEMBL8865416 | 0.83 | CYP3A4 (0.30) | — | |
| SCHEMBL9843181 | 0.83 | PPARA (0.34) | PPARACYSLTR2CYSLTR1SCD | |
| SCHEMBL9842914 | 0.83 | EPHX2 (0.39) | PPARACYSLTR2CYSLTR1SCD | |
| SCHEMBL8865011 | 0.82 | PTGS2 (0.30) | PTGS2 | |
| SCHEMBL8875182 | 0.80 | PTGDR2 (0.33) | PPARA | |
| SCHEMBL6666813 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL8875604 | 0.80 | AKR1B1 (0.31) | — | |
| SCHEMBL9843105 | 0.80 | PPARA (0.32) | PPARA |
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-0419130-A2 | Acetylenes disubstituted with a heteroaromatic group and A 2-substituted chromanyl, thiochromanyl or 1,2,3,4- tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |