Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 9/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HTR1F | P30939 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL4682634 | 1.00 | ACKR3 (0.47) | ACKR3CYP2D6HTR1FMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4685659 | 0.92 | TRPV4 (0.46) | ACKR3CYP2D6MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4685656 | 0.92 | TRPV4 (0.46) | ACKR3CYP2D6MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4681798 | 0.91 | ACKR3 (0.47) | ACKR3CYP2D6MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL4681803 | 0.91 | ACKR3 (0.47) | ACKR3CYP2D6MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL4679511 | 0.91 | CYP2D6 (0.44) | ACKR3CYP2D6MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL4679507 | 0.91 | CYP2D6 (0.44) | ACKR3CYP2D6MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL4683274 | 0.89 | ACKR3 (0.43) | ACKR3CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4683276 | 0.89 | ACKR3 (0.43) | ACKR3CYP2D6ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4683847 | 0.89 | NR1H4 (0.43) | ACKR3CYP2D6MEN1KMT2AALDH1A1 |
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 |