Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 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 | |
|---|---|---|---|---|
| SCHEMBL12439678 | 0.81 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL4004910 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL3936342 | 0.78 | GAA (0.53) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL16865149 | 0.75 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL3935271 | 0.73 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL1465682 | 0.72 | SMN1; SMN2 (0.75) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL27182591 | 0.72 | GAA (0.60) | CYP2D6HTTGAAKDM4EMAPT | |
| SCHEMBL27182598 | 0.72 | GAA (0.55) | CYP3A4CYP2C9CYP2C19CYP2D6HTT | |
| SCHEMBL16865205 | 0.71 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL13870213 | 0.70 | GAA (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20150188193-A1 | NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY | FUJIFILM CORPORATION (JP) | 2015-07-02 | — | — | US | disclosed |
| US-20150188193-A1 | NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY | FUJIFILM CORPORATION (JP) | 2015-07-02 | — | — | US | disclosed |