Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 8/20 | 0.63 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.62 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.62 |
| ▸ | HRH1 | P35367 | 1/20 | 0.62 |
| ▸ | HTR2B | P41595 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14753777 | 0.85 | CYP3A4 (0.70) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL14753782 | 0.85 | CYP3A4 (0.70) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL2596419 | 0.81 | CHRM3 (0.56) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL1222146 | 0.81 | CHRM3 (0.88) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL4298699 | 0.81 | ALDH1A1 (0.86) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL1234889 | 0.81 | KEAP1 (0.70) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL2062807 | 0.81 | KEAP1 (0.70) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL522945 | 0.81 | KEAP1 (0.70) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL20476344 | 0.81 | CHRM3 (0.64) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| Bromide SCHEMBL3387205 | 0.80 | CHRM3 (0.88) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 |
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 |