Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.36 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PTGIR | P43119 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30452088 | 0.91 | NR1H2 (0.45) | NR1H2NR1H3CHRM2CHRM1CHRM3 | |
| SCHEMBL22284416 | 0.91 | NR1H2 (0.45) | NR1H2NR1H3CHRM2CHRM1CHRM3 | |
| SCHEMBL22284418 | 0.91 | NR1H2 (0.45) | NR1H2NR1H3CHRM2CHRM1CHRM3 | |
| SCHEMBL22311362 | 0.91 | NR1H2 (0.45) | NR1H2NR1H3CHRM2CHRM1CHRM3 | |
| SCHEMBL20068564 | 0.83 | THRB (0.38) | NR1H2NR1H3TEAD1TEAD3CHRM2 | |
| SCHEMBL22311097 | 0.82 | NR1H2 (0.47) | NR1H2NR1H3CHRM2CHRM1CHRM3 | |
| SCHEMBL22311354 | 0.82 | NR1H2 (0.47) | NR1H2NR1H3CHRM2CHRM1CHRM3 | |
| SCHEMBL30451661 | 0.82 | NR1H2 (0.47) | NR1H2NR1H3CHRM2CHRM1CHRM3 | |
| SCHEMBL22311278 | 0.80 | NR1H2 (0.46) | NR1H2NR1H3KMT2AGPR119ALDH1A1 | |
| SCHEMBL22284448 | 0.80 | NR1H2 (0.46) | NR1H2NR1H3KMT2AGPR119ALDH1A1 |
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-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 |