Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 10/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4680274 | 1.00 | CYP2D6 (0.68) | CYP2D6MAPK14CHRM5CXCR3MCHR1 | |
| SCHEMBL4683652 | 0.88 | CYP2D6 (0.73) | CYP2D6MAPK14CHRM5CXCR3MCHR1 | |
| SCHEMBL4679086 | 0.87 | CYP2D6 (0.70) | CYP2D6MAPK14CHRM5CXCR3MCHR1 | |
| SCHEMBL4679079 | 0.87 | CYP2D6 (0.70) | CYP2D6MAPK14CHRM5CXCR3MCHR1 | |
| SCHEMBL4679386 | 0.86 | CYP2D6 (0.70) | CYP2D6MAPK14CHRM5CXCR3MCHR1 | |
| Hydrochloric Acid SCHEMBL4685784 | 0.85 | CYP2D6 (0.69) | CYP2D6MAPK14CHRM5CXCR3MCHR1 | |
| Hydrochloric Acid SCHEMBL4683742 | 0.85 | CYP2D6 (0.69) | CYP2D6MAPK14CHRM5CXCR3MCHR1 | |
| SCHEMBL4682236 | 0.84 | CYP2D6 (0.59) | CYP2D6MAPK14CXCR3MCHR1ACACB | |
| SCHEMBL4682231 | 0.84 | CYP2D6 (0.59) | CYP2D6MAPK14CXCR3MCHR1ACACB | |
| SCHEMBL4683070 | 0.84 | CYP2D6 (0.67) | CYP2D6MAPK14CXCR3ACACB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1058680-B1 | 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2008-07-09 | — | — | EP | disclosed |
| US-6319920-B1 | MUSCARINIC RECEPTOR ANTAGONIST USED IN GASTROINTESTINAL, GENITOURINARY TRACT, RESPIRATORY TRACT, CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM DISORDERS AND IN ANESTHESIOLOGY AND OPHTHALMOLOGY | SYNTEX (U.S.A.) LLC | 2001-11-20 | — | — | US | disclosed |
| EP-1058680-A1 | 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-13 | — | — | EP | disclosed |
| WO-1999043657-A1 | 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1999-09-02 | — | — | WO | disclosed |