Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 13/20 | 0.38 |
| ▸ | RBP4 | P02753 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 10/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2596421 | 0.78 | KEAP1 (0.42) | KEAP1NFE2L2CHRM3ALDH1A1CHRM2 | |
| Iodide SCHEMBL523867 | 0.77 | CHRM3 (0.50) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL17871674 | 0.77 | ALDH1A1 (0.52) | KEAP1NFE2L2CHRM3RBP4ALDH1A1 | |
| SCHEMBL6590742 | 0.76 | KEAP1 (0.43) | KEAP1NFE2L2CHRM3RBP4ALDH1A1 | |
| Bromomethane SCHEMBL19839345 | 0.75 | ALDH1A1 (0.50) | KEAP1NFE2L2CHRM3RBP4ALDH1A1 | |
| SCHEMBL4967978 | 0.74 | ALDH1A1 (0.46) | KEAP1NFE2L2CHRM3RBP4ALDH1A1 | |
| SCHEMBL6589288 | 0.72 | GPR119 (0.49) | RBP4 | |
| SCHEMBL11837412 | 0.72 | HTR2C (0.58) | RBP4 | |
| SCHEMBL6593469 | 0.71 | KEAP1 (0.63) | KEAP1NFE2L2CHRM3ALDH1A1CHRM2 | |
| SCHEMBL1222344 | 0.71 | RBP4 (0.44) | KEAP1NFE2L2RBP4CHRM1KCNH2 |
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-2011141180-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2011-11-17 | — | — | WO | disclosed |