Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 4/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 9/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3737858 | 0.80 | LIPE (0.60) | LIPE | |
| SCHEMBL745454 | 0.80 | CYP1A2 (0.54) | LIPEEPHX2 | |
| SCHEMBL743295 | 0.78 | LIPE (0.43) | LIPEFFAR4EPHX2CHRM4 | |
| SCHEMBL5888 | 0.75 | EPHX2 (0.49) | LIPEFFAR4EPHX2DRD3 | |
| SCHEMBL745746 | 0.74 | CYP3A4 (0.58) | — | |
| SCHEMBL744430 | 0.74 | LIPE (0.68) | LIPEEPHX2 | |
| SCHEMBL746672 | 0.74 | CYP3A4 (0.73) | — | |
| SCHEMBL26552871 | 0.73 | ALDH1A1 (0.47) | EPHX2MMP13MMP14 | |
| SCHEMBL764042 | 0.71 | CYP3A4 (0.52) | LIPE | |
| SCHEMBL747836 | 0.71 | EPHX2 (0.49) | EPHX2ITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | disclosed |