Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | GPR119 | Q8TDV5 | 11/20 | 0.46 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.39 |
| ▸ | BMP1 | P13497 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | YAP1 | P46937 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4683070 | 1.00 | CYP2D6 (0.67) | CYP2D6GPR119CXCR3BMP1MAPK14 | |
| SCHEMBL4682236 | 0.87 | CYP2D6 (0.59) | CYP2D6GPR119CXCR3MAPK14ACACB | |
| SCHEMBL4682231 | 0.87 | CYP2D6 (0.59) | CYP2D6GPR119CXCR3MAPK14ACACB | |
| SCHEMBL4683652 | 0.87 | CYP2D6 (0.73) | CYP2D6CXCR3MAPK14ACACB | |
| SCHEMBL4679386 | 0.85 | CYP2D6 (0.70) | CYP2D6CXCR3MAPK14ACACB | |
| Hydrochloric Acid SCHEMBL4685784 | 0.84 | CYP2D6 (0.69) | CYP2D6CXCR3MAPK14ACACB | |
| Hydrochloric Acid SCHEMBL4683742 | 0.84 | CYP2D6 (0.69) | CYP2D6CXCR3MAPK14ACACB | |
| SCHEMBL4680280 | 0.84 | CYP2D6 (0.68) | CYP2D6CXCR3MAPK14ACACB | |
| SCHEMBL4680274 | 0.84 | CYP2D6 (0.68) | CYP2D6CXCR3MAPK14ACACB | |
| Hydrochloric Acid SCHEMBL4684965 | 0.82 | CYP2D6 (0.69) | CYP2D6CXCR3MAPK14ACACB |
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 |