Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 1/20 | 0.49 |
| ▸ | ACACB | O00763 | 6/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.43 |
| ▸ | PDE4A | P27815 | 4/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1808785 | 1.00 | LIPE (0.49) | LIPEACACBCYP4F2CYP4A11LIPG | |
| SCHEMBL22657678 | 0.87 | LIPE (0.50) | LIPEACACBLIPGMAPTPDE4D | |
| SCHEMBL1812294 | 0.85 | ACACB (0.45) | ACACBLIPGPDE4DPDE4APDE4B | |
| SCHEMBL1812295 | 0.85 | ACACB (0.45) | ACACBLIPGPDE4DPDE4APDE4B | |
| SCHEMBL16828657 | 0.84 | CYP4F2 (0.53) | LIPEACACBCYP4F2CYP4A11MAPT | |
| SCHEMBL17610717 | 0.81 | PARP10 (0.51) | ACACBCYP4F2CYP4A11MAPTALDH1A1 | |
| SCHEMBL2347868 | 0.80 | EPHX2 (0.54) | ACACBCYP4F2CYP4A11MAPTALDH1A1 | |
| SCHEMBL22657569 | 0.80 | ACACB (0.52) | LIPEACACBMAPT | |
| SCHEMBL19870508 | 0.79 | CA1 (0.49) | ACACBMAPTPDE4DPDE4APDE4B | |
| SCHEMBL19869213 | 0.79 | CA1 (0.49) | ACACBMAPTPDE4DPDE4APDE4B |
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-2011061590-A1 | NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2011-05-26 | — | — | WO | disclosed |