Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.56 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427122 | 0.93 | NR1H2 (0.47) | NR1H2NR1H3ALDH1A1CES2BCHE | |
| SCHEMBL6427820 | 0.90 | KMT2A (0.47) | NR1H2NR1H3ALDH1A1NPSR1MEN1 | |
| SCHEMBL6426786 | 0.88 | MAPT (0.46) | NR1H2NR1H3ALDH1A1CASP3CES2 | |
| SCHEMBL6426783 | 0.85 | NR1H2 (0.47) | NR1H2NR1H3ALDH1A1F2PLG | |
| SCHEMBL6426703 | 0.84 | NR1H2 (0.41) | NR1H2NR1H3ALDH1A1CES2BCHE | |
| SCHEMBL6463014 | 0.84 | CMA1 (0.51) | NR1H2NR1H3ALDH1A1CMA1NPSR1 | |
| SCHEMBL6429024 | 0.83 | PTGS2 (0.46) | NR1H2NR1H3 | |
| SCHEMBL6427166 | 0.83 | CASP1 (0.47) | NR1H2NR1H3ALDH1A1CASP3MEN1 | |
| SCHEMBL6525603 | 0.79 | NR1H2 (0.41) | NR1H2NR1H3ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL6427487 | 0.79 | DHPS (0.46) | NR1H2NR1H3ALDH1A1LMNAL3MBTL1 |
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-2005024755-A2 | MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES | DECIPHERA PHARMACEUTICALS, LLC. (US) | 2005-03-17 | — | — | WO | disclosed |