Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22311070 | 1.00 | NR1H2 (0.42) | NR1H2NR1H3HCRTR1HCRTR2ACHE | |
| SCHEMBL30451038 | 1.00 | NR1H2 (0.42) | NR1H2NR1H3HCRTR1HCRTR2ACHE | |
| SCHEMBL25547492 | 0.94 | NR1H2 (0.40) | NR1H2NR1H3HCRTR1HCRTR2MGLL | |
| SCHEMBL20061035 | 0.94 | NR1H2 (0.40) | NR1H2NR1H3HCRTR1HCRTR2MGLL | |
| SCHEMBL30451665 | 0.94 | NR1H2 (0.40) | NR1H2NR1H3HCRTR1HCRTR2MGLL | |
| SCHEMBL20068676 | 0.93 | NR1H2 (0.40) | NR1H2NR1H3HCRTR1HCRTR2HRH1 | |
| SCHEMBL30451303 | 0.93 | NR1H2 (0.40) | NR1H2NR1H3HCRTR1HCRTR2HRH1 | |
| SCHEMBL20060930 | 0.93 | NR1H2 (0.40) | NR1H2NR1H3HCRTR1HCRTR2HRH1 | |
| SCHEMBL22311375 | 0.92 | NR1H2 (0.39) | NR1H2NR1H3HCRTR1HCRTR2CCR3 | |
| SCHEMBL20061041 | 0.92 | NR1H2 (0.51) | NR1H2NR1H3HCRTR1HCRTR2MGLL |
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-2018071317-A1 | ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |
| WO-2018068295-A1 | ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |