Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4615276 | 0.89 | ALDH1A1 (0.54) | ALDH1A1TAAR1CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL4615417 | 0.87 | ALDH1A1 (0.53) | ALDH1A1TAAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1586468 | 0.83 | MMP13 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19GAA | |
| SCHEMBL29657187 | 0.83 | MMP13 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19GAA | |
| SCHEMBL1587369 | 0.81 | ABCB11 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19GAA | |
| SCHEMBL29657138 | 0.81 | ALDH1A1 (0.46) | ALDH1A1GAAMAPTABCB11CA1 | |
| SCHEMBL6183991 | 0.80 | TAAR1 (0.56) | ALDH1A1TAAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4014153 | 0.80 | TAAR1 (0.56) | ALDH1A1TAAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1989112 | 0.80 | TAAR1 (0.56) | ALDH1A1TAAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8903433 | 0.80 | ABCB11 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19GAA |
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-1289965-A1 | SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001090081-A1 | SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-29 | — | — | WO | disclosed |