Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 9/20 | 0.57 |
| ▸ | PPARD | Q03181 | 7/20 | 0.57 |
| ▸ | PPARG | P37231 | 6/20 | 0.57 |
| ▸ | PPARA | Q07869 | 6/20 | 0.57 |
| ▸ | MAOB | P27338 | 4/20 | 0.57 |
| ▸ | MAOA | P21397 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.49 |
| ▸ | RELA | Q04206 | 3/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL20839968 | 0.91 | NR1H4 (0.56) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839749 | 0.91 | MAOB (0.59) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839696 | 0.90 | NR1H4 (0.55) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839662 | 0.90 | NR1H4 (0.55) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839654 | 0.90 | MEN1 (0.62) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839984 | 0.89 | NR1H4 (0.55) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839506 | 0.88 | NR1H4 (0.57) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839719 | 0.88 | NR1H4 (0.54) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839499 | 0.88 | HTT (0.56) | NR1H4PPARDPPARGPPARAMAOB | |
| SCHEMBL20839983 | 0.88 | NR1H4 (0.56) | NR1H4PPARDPPARGPPARAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019057969-A1 | DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES | Johann Wolfgang Goethe-Universität (DE) | 2019-03-28 | — | — | WO | disclosed |
| WO-2019057969-A1 | DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES | Johann Wolfgang Goethe-Universität (DE) | 2019-03-28 | — | — | WO | disclosed |