Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23838132 | 0.90 | NR1H2 (0.36) | NR1H2NR1H3GPR119KCNH2SMO | |
| SCHEMBL20072075 | 0.87 | OPRK1 (0.36) | NR1H2NR1H3GPR119KCNH2SMO | |
| SCHEMBL21644334 | 0.84 | SMO (0.35) | NR1H2NR1H3GPR119KCNH2SMO | |
| SCHEMBL20074083 | 0.83 | NR1H2 (0.35) | NR1H2NR1H3GPR119SMOIDH1 | |
| SCHEMBL23838140 | 0.81 | NR1H2 (0.42) | NR1H2NR1H3GPR119SMO | |
| SCHEMBL21686314 | 0.80 | NR1H2 (0.40) | NR1H2NR1H3SMOIDH1 | |
| SCHEMBL22368344 | 0.79 | NR1H2 (0.39) | NR1H2NR1H3GPR119SMO | |
| SCHEMBL23838145 | 0.79 | NR1H2 (0.41) | NR1H2NR1H3GPR119SMOIDH1 | |
| SCHEMBL23838085 | 0.78 | HSD11B1 (0.34) | NR1H2NR1H3GPR119SMO | |
| SCHEMBL23824836 | 0.78 | NR1H2 (0.49) | NR1H2NR1H3SMOIDH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3526203-B1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-09-22 | — | — | EP | disclosed |