Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | TPH1 | P17752 | 1/20 | 0.38 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.38 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL4968269 | 0.89 | RORC (0.38) | ALDH1A1ACACBHDAC1HDAC2POLB | |
| SCHEMBL4966904 | 0.88 | PDE4D (0.42) | PDE4APDE4BPDE4CPDE4DACACB | |
| SCHEMBL14116479 | 0.88 | PDE4D (0.42) | PDE4APDE4BPDE4CPDE4DACACB | |
| SCHEMBL4966888 | 0.88 | PDE4D (0.42) | PDE4APDE4BPDE4CPDE4DACACB | |
| SCHEMBL4968389 | 0.87 | ALDH1A1 (0.45) | ALDH1A1MAPTHSD17B1HSD17B2SAE1 | |
| SCHEMBL4967222 | 0.83 | PDE5A (0.46) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL4967778 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPTSAE1UBA2MEN1 | |
| SCHEMBL4965832 | 0.82 | FPR1 (0.42) | ALDH1A1MAPTHSD17B1HSD17B2SAE1 | |
| SCHEMBL4967785 | 0.79 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL4969181 | 0.78 | PDE4D (0.40) | PDE4APDE4BPDE4CPDE4DACACB |
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 |