Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2294612 | 0.87 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2294288 | 0.87 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2298478 | 0.87 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2296904 | 0.87 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2294004 | 0.81 | MOGAT2 (0.40) | ALDH1A1CYP2D6DRD3 | |
| SCHEMBL2296987 | 0.81 | MOGAT2 (0.40) | ALDH1A1CYP2D6DRD3 | |
| SCHEMBL4164179 | 0.81 | MOGAT2 (0.40) | ALDH1A1CYP2D6DRD3 | |
| SCHEMBL2296254 | 0.81 | MOGAT2 (0.40) | ALDH1A1CYP2D6DRD3 | |
| SCHEMBL2294378 | 0.81 | MOGAT2 (0.40) | ALDH1A1CYP2D6DRD3 | |
| SCHEMBL2298207 | 0.77 | CYP2D6 (0.47) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 |
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-1910320-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011065-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-01-25 | — | — | WO | disclosed |