Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 15/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13409324 | 0.82 | TRPA1 (0.45) | IRAK4GRM4LRRK2KCNH2 | |
| SCHEMBL13409306 | 0.82 | LRRK2 (0.42) | IRAK4GRM4LRRK2KCNH2 | |
| SCHEMBL14910598 | 0.81 | PLAU (0.44) | IRAK4GRM4LRRK2KCNH2 | |
| SCHEMBL13385161 | 0.79 | TRPA1 (0.56) | — | |
| SCHEMBL8271641 | 0.79 | GRM4 (0.45) | IRAK4GRM4KCNH2 | |
| SCHEMBL29620183 | 0.78 | IRAK4 (0.48) | IRAK4KCNH2 | |
| SCHEMBL17142206 | 0.78 | IRAK4 (0.48) | IRAK4KCNH2 | |
| SCHEMBL13409305 | 0.77 | AKR1C3 (0.43) | IRAK4GRM4 | |
| SCHEMBL28216884 | 0.77 | IRAK4 (0.43) | IRAK4 | |
| SCHEMBL291193 | 0.76 | CYP2A6 (0.50) | LRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7705146-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-27 | — | — | US | disclosed |