Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 12/20 | 0.42 |
| ▸ | PDE4A | P27815 | 7/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.42 |
| ▸ | SLC5A2 | P31639 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 2/20 | 0.38 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14116479 | 1.00 | PDE4D (0.42) | PDE4DPDE4APDE4BPDE4CSLC5A2 | |
| SCHEMBL4966888 | 1.00 | PDE4D (0.42) | PDE4DPDE4APDE4BPDE4CSLC5A2 | |
| SCHEMBL4967803 | 0.91 | PDE4D (0.40) | PDE4DPDE4APDE4BPDE4CSLC5A2 | |
| SCHEMBL4967798 | 0.91 | PDE4D (0.40) | PDE4DPDE4APDE4BPDE4CSLC5A2 | |
| SCHEMBL4969181 | 0.91 | PDE4D (0.40) | PDE4DPDE4APDE4BPDE4CSLC5A2 | |
| SCHEMBL4965236 | 0.88 | PDE4A (0.45) | PDE4DPDE4APDE4BPDE4CKMT2A | |
| SCHEMBL14116724 | 0.84 | PDE4D (0.43) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4967553 | 0.84 | PDE4D (0.43) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4967561 | 0.84 | PDE4D (0.43) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4968389 | 0.82 | ALDH1A1 (0.45) | KMT2A |
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 |