Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | ADAMTS7 | Q9UKP4 | 1/20 | 0.34 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.34 |
| ▸ | YAP1 | P46937 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4679944 | 0.92 | CYP2D6 (0.42) | CYP2D6ALDH1A1RAB9ALMNAOPRM1 | |
| SCHEMBL4682886 | 0.88 | YAP1 (0.38) | CYP2D6MMP13KCNH2TSHRCCR5 | |
| SCHEMBL4680282 | 0.88 | CYP2D6 (0.44) | CYP2D6ALDH1A1RAB9ALMNATRPV4 | |
| SCHEMBL4685575 | 0.85 | MCHR1 (0.37) | CYP2D6KCNH2TSHRCCR5YAP1 | |
| SCHEMBL4680487 | 0.84 | CYP2D6 (0.54) | CYP2D6ALDH1A1RAB9ASMN1; SMN2TSHR | |
| Water SCHEMBL4682572 | 0.84 | CYP2D6 (0.48) | CYP2D6RAB9ALMNAOPRM1KCNH2 | |
| SCHEMBL4682468 | 0.84 | USP2 (0.41) | CYP2D6RAB9ALMNAOPRM1KCNH2 | |
| SCHEMBL4682512 | 0.83 | CYP2D6 (0.40) | CYP2D6RAB9ALMNASMN1; SMN2KCNH2 | |
| SCHEMBL4683059 | 0.81 | CYP2D6 (0.49) | CYP2D6ALDH1A1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL4682363 | 0.81 | CYP2D6 (0.41) | CYP2D6RAB9ALMNASMN1; SMN2KCNH2 |
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 |