Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 15/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 14/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 11/20 | 0.64 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2596419 | 0.87 | CHRM3 (0.56) | CHRM3CHRM2CHRM1CHRM4CYP3A4 | |
| SCHEMBL1235445 | 0.86 | CHRM3 (0.65) | CHRM3CHRM2CHRM1CHRM4CYP3A4 | |
| SCHEMBL7140053 | 0.86 | CHRM3 (0.60) | CHRM3CHRM2CHRM1CHRM4CYP2D6 | |
| SCHEMBL7147345 | 0.86 | CHRM3 (0.60) | CHRM3CHRM2CHRM1CHRM4CYP2D6 | |
| SCHEMBL7140049 | 0.86 | CHRM3 (0.60) | CHRM3CHRM2CHRM1CHRM4CYP2D6 | |
| Bromide SCHEMBL7151353 | 0.85 | CHRM3 (0.61) | CHRM3CHRM2CHRM1CHRM4CYP2D6 | |
| SCHEMBL2596407 | 0.85 | CHRM3 (0.57) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL1234853 | 0.85 | CHRM3 (0.63) | CHRM3CHRM2CHRM1CHRM4CYP3A4 | |
| SCHEMBL13716300 | 0.84 | CHRM3 (0.68) | CHRM3CHRM2CHRM1CHRM4CYP2D6 | |
| SCHEMBL7145504 | 0.84 | CHRM3 (0.68) | CHRM3CHRM2CHRM1CHRM4CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2776426-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall, S.A. (ES) | 2014-09-17 | — | — | EP | claimed |
| EP-2776425-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall, S.A. (ES) | 2014-09-17 | — | — | EP | claimed |
| WO-2013068554-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-05-16 | — | — | WO | claimed |
| WO-2013068552-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-05-16 | — | — | WO | claimed |
| EP-2776426-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall, S.A. (ES) | 2014-09-17 | — | — | EP | disclosed |
| EP-2776425-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall, S.A. (ES) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013068554-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-05-16 | — | — | WO | disclosed |
| WO-2013068552-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-05-16 | — | — | WO | disclosed |