Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.64 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.64 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL20077157 | 1.00 | NR1H2 (0.64) | NR1H2NR1H3PDK2CHRM2CHRM1 | |
| SCHEMBL22894969 | 1.00 | NR1H2 (0.64) | NR1H2NR1H3PDK2CHRM2CHRM1 | |
| SCHEMBL22894992 | 1.00 | NR1H2 (0.64) | NR1H2NR1H3PDK2CHRM2CHRM1 | |
| SCHEMBL20077243 | 1.00 | NR1H2 (0.64) | NR1H2NR1H3PDK2CHRM2CHRM1 | |
| SCHEMBL20077153 | 0.93 | NR1H2 (0.56) | NR1H2NR1H3PDK2CHRM2CHRM1 | |
| SCHEMBL20077244 | 0.93 | NR1H2 (0.56) | NR1H2NR1H3PDK2CHRM2CHRM1 | |
| SCHEMBL22895045 | 0.93 | NR1H2 (0.56) | NR1H2NR1H3PDK2CHRM2CHRM1 | |
| SCHEMBL22895048 | 0.91 | NR1H2 (0.53) | NR1H2NR1H3PDK2 | |
| SCHEMBL20077155 | 0.91 | NR1H2 (0.53) | NR1H2NR1H3PDK2 | |
| SCHEMBL20077156 | 0.91 | NR1H2 (0.53) | 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 2 patents. 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 |
| WO-2018071315-A2 | PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |