Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 17/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25954901 | 0.95 | SLC22A12 (0.90) | SLC22A12CYP2C9CYP2C19CYP1A2L3MBTL1 | |
| SCHEMBL25954898 | 0.91 | SLC22A12 (0.83) | SLC22A12CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25955529 | 0.89 | SLC22A12 (0.79) | SLC22A12CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25954965 | 0.85 | SLC22A12 (0.73) | SLC22A12CYP2C9CYP1A2L3MBTL1MAPK1 | |
| SCHEMBL25955116 | 0.84 | SLC22A12 (0.73) | SLC22A12CYP2C9CYP2C19CYP1A2MAPK1 | |
| SCHEMBL25955135 | 0.84 | SLC22A12 (0.73) | SLC22A12CYP2C9CYP2C19CYP1A2CTSG | |
| SCHEMBL23954452 | 0.84 | SLC22A12 (0.73) | SLC22A12CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25954956 | 0.84 | SLC22A12 (0.83) | SLC22A12CYP2C9L3MBTL1MAPK1CTSG | |
| SCHEMBL25955123 | 0.83 | SLC22A12 (0.71) | SLC22A12CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25954899 | 0.83 | SLC22A12 (0.74) | SLC22A12CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023143034-A1 | PYRIDOIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 山东大学 | 2023-08-03 | — | — | WO | disclosed |