Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.34 |
| ▸ | DRD3 | P35462 | 4/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | SMO | Q99835 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | CKS1B | P61024 | 1/20 | 0.30 |
| ▸ | SKP1 | P63208 | 1/20 | 0.30 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL21686417 | 1.00 | NR1H2 (0.45) | NR1H2NR1H3DRD2OPRM1DRD3 | |
| SCHEMBL21644266 | 1.00 | NR1H2 (0.45) | NR1H2NR1H3DRD2OPRM1DRD3 | |
| SCHEMBL21644406 | 1.00 | NR1H2 (0.45) | NR1H2NR1H3DRD2OPRM1DRD3 | |
| SCHEMBL20072185 | 1.00 | NR1H2 (0.45) | NR1H2NR1H3DRD2OPRM1DRD3 | |
| SCHEMBL21686416 | 1.00 | NR1H2 (0.45) | NR1H2NR1H3DRD2OPRM1DRD3 | |
| SCHEMBL20072186 | 0.90 | NR1H2 (0.38) | NR1H2NR1H3KCNH2GPR119 | |
| SCHEMBL20072071 | 0.90 | NR1H2 (0.38) | NR1H2NR1H3KCNH2GPR119 | |
| SCHEMBL20072061 | 0.90 | NR1H2 (0.38) | NR1H2NR1H3KCNH2GPR119 | |
| SCHEMBL20074076 | 0.88 | NR1H2 (0.49) | NR1H2NR1H3DRD2OPRM1DRD3 | |
| SCHEMBL23824836 | 0.88 | NR1H2 (0.49) | NR1H2NR1H3DRD2OPRM1DRD3 |
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 |