Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 18/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 7/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13655350 | 0.89 | NOTUM (0.45) | NOTUMPIK3CAKDM4EGAAMAPT | |
| SCHEMBL988846 | 0.81 | NOTUM (0.62) | NOTUMPIK3CAKDM4EGAAMAPT | |
| SCHEMBL1484768 | 0.80 | PIK3CA (0.52) | NOTUMPIK3CAPIK3CBPIK3CDPIK3CG | |
| SCHEMBL12836870 | 0.77 | MAP3K14 (0.46) | NOTUMPIK3CAKDM4EGAAMAPT | |
| SCHEMBL13655404 | 0.75 | PIK3CA (0.43) | NOTUMPIK3CAPIK3CBPIK3CDPIK3CG | |
| SCHEMBL988650 | 0.73 | PIK3CA (0.43) | NOTUMPIK3CAPIK3CB | |
| SCHEMBL12535860 | 0.71 | PIK3CA (0.52) | NOTUMPIK3CAPIK3CBPIK3CD | |
| SCHEMBL655314 | 0.70 | MAPT (0.52) | KDM4EGAAMAPT | |
| SCHEMBL989483 | 0.70 | NOTUM (0.70) | NOTUMPIK3CAPIK3CBPIK3CDPIK3CG | |
| SCHEMBL15173260 | 0.69 | NOTUM (0.41) | NOTUMPIK3CAMAPTPIK3CBPIK3CD |
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-2011036284-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |