Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.45 |
| ▸ | MAP3K14 | Q99558 | 5/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4065800 | 0.90 | PIK3CA (0.45) | PIK3CAPIK3CBMAP3K14PIK3CDPIK3R1 | |
| SCHEMBL988949 | 0.82 | PIK3CA (0.63) | PIK3CAPIK3CBXDHSLC22A12NOTUM | |
| SCHEMBL988982 | 0.81 | NOTUM (0.39) | PIK3CAPIK3CBPIK3CDNOTUMALDH1A1 | |
| SCHEMBL988573 | 0.80 | PIK3CA (0.39) | PIK3CAPIK3CBMAP3K14PIK3CDPIK3R1 | |
| SCHEMBL988659 | 0.79 | NOTUM (0.53) | PIK3CAPIK3CBNOTUMALDH1A1KDM4E | |
| SCHEMBL988266 | 0.75 | PIK3CA (0.39) | PIK3CAPIK3CBMAP3K14PIK3CDPIK3R1 | |
| SCHEMBL1265517 | 0.74 | MAOB (0.53) | PIK3CAPIK3CBXDHSLC22A12ALDH1A1 | |
| SCHEMBL20597589 | 0.74 | NOTUM (0.67) | PIK3CAPIK3CBNOTUMALDH1A1KDM4E | |
| SCHEMBL1516838 | 0.73 | SRD5A1 (0.38) | NOTUMALDH1A1KDM4EGAAHPGD | |
| SCHEMBL11618347 | 0.73 | PKM (0.45) | PIK3CAPIK3CBALDH1A1PKM |
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-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 |