Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 12/20 | 0.37 |
| ▸ | PDE4A | P27815 | 3/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.37 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13201738 | 0.93 | UCHL1 (0.37) | PDE4BPDE4APDE4CPDE4DUCHL1 | |
| SCHEMBL13201737 | 0.92 | P2RX3 (0.41) | PDE4BPDE4APDE4CPDE4DUCHL1 | |
| SCHEMBL8275838 | 0.85 | P2RX3 (0.36) | UCHL1P2RX3MCL1 | |
| SCHEMBL8277884 | 0.84 | PDE4B (0.39) | PDE4BPDE4APDE4CPDE4DUCHL1 | |
| SCHEMBL14092831 | 0.84 | P2RX3 (0.41) | PDE4BPDE4APDE4CPDE4DUCHL1 | |
| SCHEMBL13201745 | 0.82 | CTSB (0.48) | PDE4BPDE4APDE4CPDE4DUCHL1 | |
| SCHEMBL13201741 | 0.82 | CTSB (0.44) | PDE4BPDE4APDE4CPDE4DP2RX3 | |
| SCHEMBL13219427 | 0.81 | HTR3E (0.35) | PDE4BPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL13219280 | 0.80 | MMP2 (0.34) | PDE4BPDE4APDE4CPDE4DPIK3CD | |
| SCHEMBL3373457 | 0.80 | CYP3A4 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7511157-B2 | racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-31 | — | — | US | disclosed |
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |