Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4683169 | 0.89 | CYP2D6 (0.39) | CYP2D6SMN1; SMN2POLBAKR1C3KCNH2 | |
| Hydrochloric Acid SCHEMBL4679368 | 0.89 | SMN1; SMN2 (0.39) | TSHRCYP2D6SMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4685745 | 0.88 | CYP2D6 (0.38) | CYP2D6SMN1; SMN2POLBAKR1C3KCNH2 | |
| SCHEMBL4677951 | 0.87 | AKR1C3 (0.46) | CYP2D6SMN1; SMN2RAB9AAKR1C3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4682976 | 0.86 | RAB9A (0.48) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL4682554 | 0.85 | RORC (0.41) | SMN1; SMN2NPC1RAB9APOLBHRH3 | |
| Hydrochloric Acid SCHEMBL4682625 | 0.85 | CYP2D6 (0.41) | TSHRCYP2D6NPC1RAB9AAKR1C3 | |
| SCHEMBL4679111 | 0.83 | CYP2D6 (0.52) | TSHRCYP2D6HRH3KMT2A | |
| SCHEMBL4683149 | 0.83 | CYP2D6 (0.61) | CYP2D6SMN1; SMN2ACACB | |
| Hydrochloric Acid SCHEMBL4678437 | 0.82 | ABL1 (0.46) | TSHRRAB9AALDH1A1 |
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 2 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 |