Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GRM7 | Q14831 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28812903 | 0.82 | IDO1 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27859258 | 0.81 | CYP11B1 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27849124 | 0.78 | IDO1 (0.51) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28605362 | 0.73 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL32675708 | 0.72 | HAO1 (0.36) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28614539 | 0.72 | CYP3A4 (0.33) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23559070 | 0.68 | IDO1 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28172955 | 0.68 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17361199 | 0.67 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30798908 | 0.67 | CYP3A4 (0.42) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916784-A | Novel imidazopyrazine derivatives | 豪夫迈·罗氏有限公司 | 2023-04-04 | — | — | CN | disclosed |