Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 4/20 | 0.39 |
| ▸ | CCND1 | P24385 | 4/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | LYN | P07948 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4040628 | 0.88 | MAPK14 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3839596 | 0.86 | MAPK14 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4036260 | 0.85 | MAPK14 (0.38) | CDK4CCND1PIK3CALCKMAPK14 | |
| SCHEMBL5050315 | 0.85 | PIK3CA (0.39) | CYP2D6CDK4CCND1PIK3CASLC6A4 | |
| SCHEMBL4034535 | 0.84 | PIK3CA (0.38) | CDK4CCND1PIK3CASLC6A4SLC6A2 | |
| SCHEMBL5265811 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL917926 | 0.80 | MAPK14 (0.56) | CDK4CCND1LCKMAPK14CDK6 | |
| SCHEMBL4139172 | 0.77 | MAPK14 (0.53) | CDK4CCND1LCKMAPK14CDK6 | |
| SCHEMBL3674451 | 0.76 | MAPK14 (0.53) | CYP1A2CYP3A4CYP2D6CDK4CCND1 | |
| SCHEMBL3671814 | 0.76 | MAPK14 (0.53) | CYP1A2CYP3A4CYP2D6CDK4CCND1 |
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-1948164-A1 | PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES, LTD. (IN) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007045979-A1 | PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES LIMITED (IN) | 2007-04-26 | — | — | WO | disclosed |