Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 15/20 | 0.39 |
| ▸ | CCR3 | P51677 | 15/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20061096 | 0.84 | NR1H2 (0.62) | NR1H2NR1H3HRH1CCR3KCNH2 | |
| SCHEMBL20060947 | 0.84 | NR1H2 (0.62) | NR1H2NR1H3HRH1CCR3KCNH2 | |
| SCHEMBL22311115 | 0.84 | NR1H2 (0.62) | NR1H2NR1H3HRH1CCR3KCNH2 | |
| SCHEMBL25551636 | 0.84 | NR1H2 (0.62) | NR1H2NR1H3HRH1CCR3KCNH2 | |
| SCHEMBL30450973 | 0.84 | NR1H2 (0.62) | NR1H2NR1H3HRH1CCR3KCNH2 | |
| SCHEMBL22311102 | 0.84 | NR1H2 (0.45) | NR1H2NR1H3HRH1CCR3KCNH2 | |
| SCHEMBL20060927 | 0.84 | GPR119 (0.47) | NR1H2NR1H3PDK2 | |
| SCHEMBL20061055 | 0.84 | GPR119 (0.47) | NR1H2NR1H3PDK2 | |
| SCHEMBL30451108 | 0.84 | HRH1 (0.38) | NR1H2NR1H3HRH1CCR3KCNH2 | |
| SCHEMBL20068723 | 0.82 | 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-2018071317-A1 | ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |