Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | CCR9 | P51686 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4966013 | 0.88 | PDE4D (0.43) | MAPTHTTALDH1A1CYP2C9HPGD | |
| SCHEMBL4966002 | 0.88 | PDE4D (0.43) | MAPTHTTALDH1A1CYP2C9HPGD | |
| SCHEMBL4968239 | 0.88 | PDE4D (0.43) | MAPTHTTALDH1A1CYP2C9HPGD | |
| SCHEMBL4967222 | 0.87 | PDE5A (0.46) | PDE5AMAPTHTTALDH1A1CYP2C9 | |
| SCHEMBL4968269 | 0.86 | RORC (0.38) | PDE5AALDH1A1NPSR1HDAC1HDAC2 | |
| SCHEMBL1250657 | 0.84 | ALDH1A1 (0.46) | MAPTHTTALDH1A1CYP2C9HPGD | |
| SCHEMBL4965496 | 0.83 | ALDH1A1 (0.45) | MAPTHTTALDH1A1CYP2C9HPGD | |
| SCHEMBL4966881 | 0.81 | MAPT (0.43) | MAPTHTTALDH1A1CYP2C9HPGD | |
| SCHEMBL4969314 | 0.77 | POLB (0.39) | PDE5AMAPTHTTHDAC1HDAC2 | |
| SCHEMBL4965236 | 0.76 | PDE4A (0.45) | MAPTALDH1A1NPSR1HDAC1HDAC2 |
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 |