Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4679718 | 1.00 | TDP1 (0.47) | TDP1ALDH1A1SMN1; SMN2SLC6A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL4685022 | 0.99 | TDP1 (0.49) | TDP1ALDH1A1SMN1; SMN2SLC6A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL4684309 | 0.98 | TDP1 (0.48) | TDP1ALDH1A1SMN1; SMN2SLC6A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL4684310 | 0.98 | TDP1 (0.48) | TDP1ALDH1A1SMN1; SMN2SLC6A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL4682672 | 0.78 | CYP2D6 (0.61) | ALDH1A1SMN1; SMN2SLC6A4CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL4682431 | 0.78 | CYP2D6 (0.61) | ALDH1A1SMN1; SMN2SLC6A4CYP2D6CYP3A4 | |
| SCHEMBL4680567 | 0.78 | CYP2D6 (0.45) | ALDH1A1SMN1; SMN2SLC6A4CYP2D6CYP3A4 | |
| SCHEMBL4678547 | 0.78 | CYP2D6 (0.43) | ALDH1A1SMN1; SMN2SLC6A4CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL4682430 | 0.78 | CYP2D6 (0.61) | ALDH1A1SMN1; SMN2SLC6A4CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL4683782 | 0.78 | CYP3A4 (0.43) | ALDH1A1SMN1; SMN2SLC6A4CYP2D6CYP3A4 |
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 |