Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | KHK | P50053 | 3/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL578317 | 0.88 | KDM4E (0.40) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL13147749 | 0.86 | C1S (0.38) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL585769 | 0.81 | PIM1 (0.37) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL577811 | 0.78 | MAPT (0.37) | KDM4EALDH1A1MAPTPIM1HDAC6 | |
| SCHEMBL13147740 | 0.77 | IDH1 (0.41) | KDM4EALDH1A1IDH1 | |
| SCHEMBL13147742 | 0.75 | IDH1 (0.37) | KDM4EIDH1 | |
| SCHEMBL578139 | 0.74 | L3MBTL1 (0.43) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL578258 | 0.73 | C1S (0.39) | KHKIDH1HSP90AA1PDK2 | |
| SCHEMBL13147660 | 0.73 | IDH1 (0.39) | KDM4EALDH1A1LMNAIDH1 | |
| SCHEMBL13147664 | 0.73 | ALDH1A1 (0.44) | KDM4EALDH1A1LMNAMAPTIDH1 |
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-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |