Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.45 |
| ▸ | ACKR3 | P25106 | 7/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 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 | |
|---|---|---|---|---|
| SCHEMBL8135103 | 0.92 | NR1H4 (0.45) | NR1H4ACKR3KCNK9PPARAPPARG | |
| SCHEMBL4686021 | 0.91 | ACKR3 (0.44) | NR1H4ACKR3KCNK9PPARAPPARG | |
| Hydrochloric Acid SCHEMBL4685699 | 0.89 | NR1H4 (0.42) | NR1H4ACKR3SIRT2SIRT1SIRT3 | |
| Trifluoroacetic Acid SCHEMBL4678472 | 0.89 | NR1H4 (0.44) | NR1H4ACKR3KCNK9PPARAPPARG | |
| Hydrochloric Acid SCHEMBL4682704 | 0.89 | NR1H4 (0.42) | NR1H4ACKR3KCNK9PPARAPPARG | |
| Trifluoroacetic Acid SCHEMBL4682096 | 0.88 | NR1H4 (0.43) | NR1H4ACKR3KCNK9PPARAPPARG | |
| Trifluoroacetic Acid SCHEMBL4685661 | 0.88 | NR1H4 (0.43) | NR1H4ACKR3KCNK9PPARAPPARG | |
| Hydrochloric Acid SCHEMBL4685299 | 0.88 | MAPT (0.42) | NR1H4ACKR3KCNK9PPARAPPARG | |
| Trifluoroacetic Acid SCHEMBL4682457 | 0.88 | NR1H4 (0.43) | NR1H4ACKR3KCNK9PPARAPPARG | |
| Trifluoroacetic Acid SCHEMBL4685232 | 0.88 | NR1H4 (0.43) | NR1H4ACKR3KCNK9PPARAPPARG |
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 |