Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13054165 | 0.87 | KIF11 (0.38) | KIF11MGAT2CYP3A4HTTEPHX2 | |
| SCHEMBL8195595 | 0.87 | KIF11 (0.38) | KIF11MGAT2CYP3A4HTTEPHX2 | |
| SCHEMBL7559457 | 0.87 | KIF11 (0.38) | KIF11MGAT2CYP3A4HTTEPHX2 | |
| SCHEMBL7581116 | 0.86 | TP53 (0.31) | — | |
| SCHEMBL7582435 | 0.82 | BACE1 (0.34) | — | |
| SCHEMBL7589846 | 0.81 | — | — | |
| SCHEMBL7581043 | 0.80 | BACE1 (0.31) | — | |
| SCHEMBL7581190 | 0.80 | BACE1 (0.31) | — | |
| SCHEMBL7584231 | 0.79 | ELANE (0.33) | CYP3A4HTT | |
| SCHEMBL7584854 | 0.79 | BACE1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |