Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.46 |
| ▸ | YAP1 | P46937 | 3/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 3/20 | 0.44 |
| ▸ | MMP3 | P08254 | 3/20 | 0.44 |
| ▸ | MMP7 | P09237 | 3/20 | 0.44 |
| ▸ | MMP9 | P14780 | 3/20 | 0.44 |
| ▸ | MMP8 | P22894 | 3/20 | 0.44 |
| ▸ | MMP13 | P45452 | 3/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | BMP1 | P13497 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4682805 | 0.92 | ALDH1A1 (0.50) | ALDH1A1GPR119YAP1STSTP53 | |
| SCHEMBL4682714 | 0.89 | ALDH1A1 (0.49) | ALDH1A1GPR119YAP1STSTP53 | |
| Hydrochloric Acid SCHEMBL4684192 | 0.85 | ALDH1A1 (0.47) | ALDH1A1GPR119YAP1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL4682900 | 0.83 | STS (0.43) | GPR119YAP1STSMMP13TGFBR1 | |
| Water SCHEMBL4677873 | 0.81 | YAP1 (0.43) | ALDH1A1GPR119YAP1TP53BACE1 | |
| SCHEMBL4679510 | 0.79 | CHRM3 (0.40) | ALDH1A1YAP1LMNASMN1; SMN2 | |
| Water SCHEMBL4677879 | 0.79 | YAP1 (0.44) | ALDH1A1GPR119YAP1TP53BACE1 | |
| SCHEMBL4678547 | 0.78 | CYP2D6 (0.43) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL4680567 | 0.78 | CYP2D6 (0.45) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL4739666 | 0.78 | MMP1 (0.43) | ALDH1A1GPR119MMP1MMP3MMP7 |
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 |