Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4682945 | 0.92 | SMYD3 (0.45) | SMYD3ADRA2CHTR2AHTR2CSLC6A4 | |
| SCHEMBL4682885 | 0.91 | RORC (0.40) | CHRM3KCNH2CYP2D6CHRM4SIGMAR1 | |
| SCHEMBL4682814 | 0.91 | KMT2A (0.40) | SMYD3USP2CYP3A4NR1I2ADRB1 | |
| SCHEMBL4683626 | 0.89 | NPSR1 (0.38) | DRD3CYP2D6NPSR1 | |
| Water SCHEMBL4680290 | 0.88 | CNR1 (0.42) | SMYD3USP2CYP3A4NR1I2ADRB1 | |
| SCHEMBL4679943 | 0.88 | CYP2D6 (0.44) | USP2CYP3A4NR1I2ADRB1HTR1A | |
| SCHEMBL4678953 | 0.88 | USP2 (0.42) | SMYD3USP2CYP3A4NR1I2ADRB1 | |
| SCHEMBL4682466 | 0.87 | KMT2A (0.43) | USP2CYP3A4NR1I2ADRB1HTR1A | |
| SCHEMBL4682648 | 0.84 | YAP1 (0.36) | CYP2D6NPSR1 | |
| Water SCHEMBL4677926 | 0.82 | CHRM3 (0.40) | CYP3A4HTR1AADRA2AADRA2BADRA2C |
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 |