Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 18/20 | 0.59 |
| ▸ | MTOR | P42345 | 9/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.53 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.53 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.53 |
| ▸ | PIK3R1 | P27986 | 4/20 | 0.53 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.53 |
| ▸ | RPTOR | Q8N122 | 3/20 | 0.47 |
| ▸ | MLST8 | Q9BVC4 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27833430 | 0.86 | PIK3CA (0.52) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL27813632 | 0.82 | PIK3CA (0.56) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL1114010 | 0.79 | PIK3CA (0.59) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL27813714 | 0.78 | PIK3CA (0.57) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL27932585 | 0.77 | PIK3CA (0.56) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL1114195 | 0.76 | PIK3CA (0.59) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL1114197 | 0.75 | PIK3CA (0.65) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL16411842 | 0.75 | PIK3CA (0.63) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL1113976 | 0.75 | PIK3CA (0.67) | PIK3CAMTORHDAC1PIK3CDPIK3CG | |
| SCHEMBL1114139 | 0.75 | PIK3CA (1.00) | PIK3CAMTORHDAC1PIK3CDPIK3CG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2279188-A1 | PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2011-02-02 | — | — | EP | disclosed |
| WO-2009146406-A1 | PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2009-12-03 | — | — | WO | disclosed |