Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8273095 | 0.85 | MAOA (0.39) | MAOAMAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL13409342 | 0.83 | PDE1B (0.39) | LRRK2MAOAMAPTTRPM8KDM4E | |
| SCHEMBL13409340 | 0.79 | CYP19A1 (0.43) | LRRK2MAPTL3MBTL1TRPM8PDE1B | |
| SCHEMBL1536585 | 0.77 | MAPK1 (0.44) | MAOAMAPTKDM4EALDH1A1HSD17B10 | |
| SCHEMBL13409336 | 0.76 | ATM (0.44) | LRRK2ATMMAPTL3MBTL1KDM4E | |
| SCHEMBL13409320 | 0.72 | PLAU (0.49) | LRRK2ATMMAPTTRPM8KDM4E | |
| SCHEMBL13409346 | 0.72 | LRRK2 (0.38) | LRRK2ATMMAPTTRPM8CYP2C19 | |
| SCHEMBL31701118 | 0.71 | LRRK2 (0.40) | LRRK2ATMMAPTL3MBTL1KDM4E | |
| SCHEMBL13409353 | 0.71 | CYP3A4 (0.46) | MAPTL3MBTL1TRPM8KDM4EALDH1A1 | |
| SCHEMBL16213745 | 0.69 | LRRK2 (0.41) | LRRK2MAOATRPM8KCNH2GAK |
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 |