Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKE | Q14164 | 5/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 5/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.36 |
| ▸ | PDE4A | P27815 | 4/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.34 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4966718 | 1.00 | IKBKE (0.36) | IKBKETBK1PDE4DPDE4APDE4B | |
| SCHEMBL4966901 | 1.00 | IKBKE (0.36) | IKBKETBK1PDE4DPDE4APDE4B | |
| SCHEMBL4966426 | 0.90 | TBK1 (0.39) | TBK1PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4969537 | 0.90 | TBK1 (0.39) | TBK1PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4966417 | 0.90 | TBK1 (0.39) | TBK1PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4969143 | 0.87 | POLB (0.36) | SLC5A1SLC5A2 | |
| SCHEMBL4967723 | 0.84 | PDE4D (0.38) | PDE4DPDE4APDE4BPDE4CCHEK1 | |
| SCHEMBL4967734 | 0.84 | PDE4D (0.38) | PDE4DPDE4APDE4BPDE4CCHEK1 | |
| SCHEMBL4968649 | 0.84 | PDE4D (0.38) | PDE4DPDE4APDE4BPDE4CCHEK1 | |
| SCHEMBL4969181 | 0.78 | PDE4D (0.40) | PDE4DPDE4APDE4BPDE4CSLC5A2 |
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-2008101938-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-28 | — | — | WO | disclosed |