Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.36 |
| ▸ | QDPR | P09417 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 4/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22756753 | 0.81 | NPC1 (0.44) | MAPKAPK2NPC1 | |
| SCHEMBL22971726 | 0.81 | MAPKAPK2 (0.43) | CYP3A4MAPKAPK2LMNAMAPTHTT | |
| SCHEMBL21678042 | 0.80 | GSK3B (0.41) | CYP3A4CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL10324727 | 0.74 | LMNA (0.55) | MAPKAPK2LMNAMAPTASIC3QDPR | |
| SCHEMBL28826607 | 0.74 | MAPKAPK2 (0.39) | CYP3A4CYP11B1CYP11B2MAPKAPK2HTT | |
| SCHEMBL7433478 | 0.74 | PDGFRB (0.44) | MAPKAPK2LMNAMAPTASIC3QDPR | |
| SCHEMBL2639851 | 0.73 | — | — | |
| SCHEMBL28815149 | 0.73 | ASIC3 (0.53) | MAPKAPK2LMNAMAPTASIC3NPC1 | |
| SCHEMBL2077041 | 0.71 | LMNA (0.56) | CYP3A4CYP19A1CYP11B1CYP11B2LMNA | |
| SCHEMBL31085081 | 0.70 | ASIC3 (0.50) | MAPKAPK2LMNAMAPTASIC3NPC1 |
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-2019162323-A1 | NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-08-29 | — | — | WO | disclosed |