Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 7/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16416738 | 0.86 | SMN1; SMN2 (0.46) | ALDH1A1CYP3A4PPARAMMP8POLB | |
| SCHEMBL6504745 | 0.85 | PPARA (0.49) | ALDH1A1CYP3A4PPARAMMP8POLB | |
| SCHEMBL17653645 | 0.85 | PPARA (0.49) | ALDH1A1CYP3A4PPARAMMP8POLB | |
| SCHEMBL2553482 | 0.85 | PPARA (0.49) | ALDH1A1CYP3A4PPARAMMP8POLB | |
| SCHEMBL36134 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CYP3A4PPARAPOLBPPARG | |
| SCHEMBL16070720 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CYP3A4PPARAPOLBPPARG | |
| SCHEMBL5446932 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CYP3A4PPARAPOLBPPARG | |
| SCHEMBL13491149 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4PPARAMMP8POLB | |
| SCHEMBL6972548 | 0.83 | MMP8 (0.44) | ALDH1A1CYP3A4PPARAMMP8POLB | |
| Water SCHEMBL23175322 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4PPARAPOLBPPARG |
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-2007008156-A1 | A PHARMACEUTICAL COMPOSITION COMPRISING A SUBSTITUTED PHENYLPROPIONIC ACID AS A FREE ACID AND AS TERT-BUTYL AMINE SALT THEREOF | ASTRAZENECA AB (SE) | 2007-01-18 | — | — | WO | disclosed |