Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 11/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13409343 | 0.87 | LRRK2 (0.42) | LRRK2IRAK4CYP1A2ALDH1A1 | |
| SCHEMBL13409324 | 0.83 | TRPA1 (0.45) | LRRK2IRAK4CYP1A2GRM4TRPA1 | |
| SCHEMBL14910598 | 0.82 | PLAU (0.44) | LRRK2IRAK4GRM4TRPA1KCNH2 | |
| SCHEMBL13409307 | 0.82 | IRAK4 (0.40) | LRRK2IRAK4GRM4KCNH2 | |
| SCHEMBL6382617 | 0.81 | TRPA1 (0.44) | CYP1A2TRPA1ALDH1A1KDM4ELMNA | |
| SCHEMBL31255993 | 0.81 | TRPA1 (0.44) | CYP1A2TRPA1ALDH1A1KDM4ELMNA | |
| SCHEMBL13385161 | 0.81 | TRPA1 (0.56) | CYP1A2TRPA1 | |
| SCHEMBL13409305 | 0.78 | AKR1C3 (0.43) | IRAK4GRM4TRPA1ALDH1A1KDM4E | |
| SCHEMBL28216884 | 0.78 | IRAK4 (0.43) | IRAK4 | |
| SCHEMBL291193 | 0.77 | CYP2A6 (0.50) | LRRK2CYP1A2TRPA1ALDH1A1KDM4E |
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 |