Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 3/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1516787 | 0.91 | PRMT5 (0.34) | NOTUMPIK3CAGPR183LMNAMAPT | |
| SCHEMBL989459 | 0.89 | PIK3CA (0.34) | NOTUMPIK3CAPIK3CBPIK3CGPIK3CD | |
| SCHEMBL989248 | 0.87 | HDAC3 (0.34) | NOTUMPIK3CAPIK3CBPIK3CGPIK3CD | |
| SCHEMBL15200696 | 0.85 | RAB9A (0.33) | PIK3CAPIK3CBPIK3CGPIK3CDLMNA | |
| SCHEMBL988657 | 0.83 | NPC1 (0.35) | PIK3CAPIK3CBPIK3CGPIK3CDMAPT | |
| SCHEMBL15200962 | 0.81 | MAP3K14 (0.33) | PIK3CAMAP3K14 | |
| SCHEMBL988493 | 0.80 | PRMT5 (0.35) | LMNAMAPTHTTBLMMAOB | |
| SCHEMBL1516828 | 0.79 | MMP2 (0.30) | — | |
| SCHEMBL1516817 | 0.79 | PRMT5 (0.34) | LMNAMAPTHTTBLMMAOB | |
| SCHEMBL989505 | 0.78 | PIK3CA (0.35) | PIK3CAPIK3CBPIK3CGPIK3CDLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2483277-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011036284-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |
| EP-2276767-A1 | BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009123971-A1 | BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2009-10-08 | — | — | WO | disclosed |