Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21483711 | 0.74 | CHRM2 (0.58) | KEAP1NFE2L2CYP2D6CHRM3CHRM2 | |
| SCHEMBL21483712 | 0.74 | CHRM2 (0.58) | KEAP1NFE2L2CYP2D6CHRM3CHRM2 | |
| SCHEMBL6567902 | 0.74 | CHRM2 (0.46) | KEAP1NFE2L2CYP2D6CHRM3CHRM2 | |
| SCHEMBL31279338 | 0.74 | CHRM2 (0.46) | KEAP1NFE2L2CYP2D6CHRM3CHRM2 | |
| SCHEMBL6704158 | 0.73 | CHRM2 (0.60) | KEAP1NFE2L2CYP2D6CHRM3CHRM2 | |
| SCHEMBL6700758 | 0.73 | CHRM2 (0.60) | KEAP1NFE2L2CYP2D6CHRM3CHRM2 | |
| SCHEMBL1847210 | 0.73 | CHRM2 (0.60) | KEAP1NFE2L2CYP2D6CHRM3CHRM2 | |
| SCHEMBL9162471 | 0.73 | CYP2D6 (0.61) | CYP2D6HRH1CYP3A4TSHRMAPT | |
| SCHEMBL9162459 | 0.73 | CYP2D6 (0.61) | CYP2D6HRH1CYP3A4TSHRMAPT | |
| SCHEMBL15873671 | 0.72 | HRH1 (0.68) | KEAP1NFE2L2CYP2D6CHRM3CHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1858513-A4 | DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2009-06-03 | — | — | EP | disclosed |
| EP-1858513-A1 | DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006098912-A1 | DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2006-09-21 | — | — | WO | disclosed |