Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 15/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25954961 | 0.94 | SLC22A12 (0.66) | SLC22A12CYP1A2CYP2C9L3MBTL1 | |
| SCHEMBL25954959 | 0.90 | SLC22A12 (0.71) | SLC22A12CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL25954902 | 0.85 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9L3MBTL1MAPK1 | |
| SCHEMBL25954969 | 0.82 | SLC22A12 (0.69) | SLC22A12CYP1A2CYP2C9L3MBTL1MAPK1 | |
| SCHEMBL25954960 | 0.81 | SLC22A12 (0.70) | SLC22A12CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL31054447 | 0.81 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9 | |
| SCHEMBL25955203 | 0.81 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9 | |
| SCHEMBL25954901 | 0.79 | SLC22A12 (0.90) | SLC22A12CYP1A2CYP2C9L3MBTL1 | |
| SCHEMBL25954966 | 0.79 | SLC22A12 (0.64) | SLC22A12CYP1A2CYP2C9 | |
| SCHEMBL25955009 | 0.77 | SLC22A12 (0.67) | SLC22A12CYP1A2CYP2C9L3MBTL1KMT2A |
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 |