Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NPY2R | P49146 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20077389 | 0.85 | NR1H2 (0.38) | NR1H2NR1H3GFERPDK2GAA | |
| SCHEMBL20077569 | 0.85 | NR1H2 (0.52) | NR1H2NR1H3GFERPDK2GAA | |
| SCHEMBL20077392 | 0.85 | NR1H2 (0.52) | NR1H2NR1H3GFERPDK2GAA | |
| SCHEMBL22363661 | 0.84 | NR1H2 (0.49) | NR1H2NR1H3PDK2FFAR1GAA | |
| SCHEMBL20077255 | 0.83 | NR1H2 (0.41) | NR1H2NR1H3PDK2FFAR1KMT2A | |
| SCHEMBL22894978 | 0.83 | NR1H2 (0.41) | NR1H2NR1H3PDK2FFAR1KMT2A | |
| SCHEMBL20077739 | 0.81 | NR1H2 (0.38) | NR1H2NR1H3PDK2FFAR1OPRK1 | |
| SCHEMBL20060866 | 0.81 | GPR119 (0.44) | NR1H2NR1H3PDK2FFAR1 | |
| SCHEMBL22311101 | 0.80 | NR1H2 (0.44) | NR1H2NR1H3PDK2FFAR1OPRK1 | |
| SCHEMBL20068697 | 0.79 | NR1H2 (0.42) | NR1H2NR1H3PDK2 |
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-2018068296-A1 | PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |