Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 12/20 | 0.43 |
| ▸ | PDE4A | P27815 | 6/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4967561 | 1.00 | PDE4D (0.43) | PDE4DPDE4APDE4BPDE4CCASP1 | |
| SCHEMBL14116724 | 1.00 | PDE4D (0.43) | PDE4DPDE4APDE4BPDE4CCASP1 | |
| SCHEMBL4966013 | 0.88 | PDE4D (0.43) | PDE4DPDE4APDE4BPDE4CCASP1 | |
| SCHEMBL4966002 | 0.88 | PDE4D (0.43) | PDE4DPDE4APDE4BPDE4CCASP1 | |
| SCHEMBL4968239 | 0.88 | PDE4D (0.43) | PDE4DPDE4APDE4BPDE4CCASP1 | |
| SCHEMBL4967222 | 0.87 | PDE5A (0.46) | PDE4DPDE4APDE4BPDE4CMAPT | |
| SCHEMBL4966904 | 0.84 | PDE4D (0.42) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL14116479 | 0.84 | PDE4D (0.42) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4966888 | 0.84 | PDE4D (0.42) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4966690 | 0.81 | NPC1 (0.52) | MAPTSMN1; SMN2NPSR1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |