Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 11/20 | 0.42 |
| ▸ | PDE4A | P27815 | 5/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4970129 | 1.00 | RORC (0.50) | RORCMAPK8MAPK9PDE4DPDE4A | |
| SCHEMBL4967351 | 1.00 | RORC (0.50) | RORCMAPK8MAPK9PDE4DPDE4A | |
| SCHEMBL7361005 | 0.85 | PDE4D (0.58) | RORCPDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4968732 | 0.83 | RORC (0.59) | RORCPDE4DPDE4APDE4BPDE4C | |
| SCHEMBL28446957 | 0.79 | ACACB (0.51) | RORCMAPK8MAPK9CYP1A2 | |
| SCHEMBL28446956 | 0.79 | ACACB (0.51) | RORCMAPK8MAPK9CYP1A2 | |
| SCHEMBL22688391 | 0.79 | PDE4D (0.54) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4969181 | 0.74 | PDE4D (0.40) | MAPK8MAPK9PDE4DPDE4APDE4B | |
| SCHEMBL4967798 | 0.74 | PDE4D (0.40) | MAPK8MAPK9PDE4DPDE4APDE4B | |
| SCHEMBL4967803 | 0.74 | PDE4D (0.40) | MAPK8MAPK9PDE4DPDE4APDE4B |
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 |