Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4599439 | 1.00 | ENPP1 (0.44) | ENPP1ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4782480 | 0.81 | CA12 (0.39) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2294885 | 0.79 | ALDH1A1 (0.49) | ENPP1ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2294738 | 0.79 | ALDH1A1 (0.49) | ENPP1ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14290873 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4777682 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15936332 | 0.72 | ENPP1 (0.55) | ENPP1ALDH1A1LMNASMN1; SMN2HTT | |
| SCHEMBL6937915 | 0.72 | ENPP1 (0.58) | ENPP1ALDH1A1MEN1MAPTHTT | |
| SCHEMBL2293187 | 0.69 | MAOB (0.45) | ENPP1ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2296879 | 0.69 | MAOB (0.45) | ENPP1ALDH1A1CYP3A4CYP2D6CYP2C9 |
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 |