Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL20071869 | 0.94 | PIK3CA (0.35) | POLBACHEPIK3CAPIK3CBNR1H2 | |
| SCHEMBL20074059 | 0.94 | PIK3CA (0.35) | POLBACHEPIK3CAPIK3CBNR1H2 | |
| SCHEMBL21644312 | 0.91 | ACHE (0.38) | ACHENR1H2NR1H3FFAR1CHRM4 | |
| SCHEMBL21644310 | 0.91 | ACHE (0.38) | ACHENR1H2NR1H3FFAR1CHRM4 | |
| SCHEMBL21644198 | 0.90 | ACHE (0.34) | ACHENR1H2NR1H3FFAR1CHRM4 | |
| SCHEMBL20071829 | 0.90 | ACHE (0.34) | ACHENR1H2NR1H3FFAR1CHRM4 | |
| SCHEMBL21644390 | 0.90 | NR1H2 (0.35) | ACHENR1H2NR1H3FFAR1CHRM4 | |
| SCHEMBL20072012 | 0.90 | NR1H2 (0.39) | ACHENR1H2NR1H3FFAR1CHRM4 | |
| SCHEMBL21644153 | 0.90 | NR1H2 (0.39) | ACHENR1H2NR1H3FFAR1CHRM4 | |
| SCHEMBL21644306 | 0.90 | NR1H2 (0.39) | ACHENR1H2NR1H3FFAR1CHRM4 |
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 |