Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | HRH2 | P25021 | 3/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL988075 | 0.85 | PIK3CA (0.39) | PIK3CAPIK3CBGRM5MAPTUSP2 | |
| SCHEMBL988657 | 0.85 | NPC1 (0.35) | PIK3CAPIK3CBGABRA1GABRG2GABRB3 | |
| SCHEMBL1517887 | 0.85 | NPY5R (0.40) | MAPTNPC1RAB9ASMN1; SMN2RIPK1 | |
| SCHEMBL988984 | 0.82 | ALDH1A1 (0.40) | MAPTNPC1RAB9ALMNANPSR1 | |
| SCHEMBL988653 | 0.78 | PPARA (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL15200679 | 0.77 | CHRM5 (0.35) | MAPTLMNATSHRNPSR1ALDH1A1 | |
| SCHEMBL15200696 | 0.74 | RAB9A (0.33) | PIK3CAPIK3CBMAPTNPC1RAB9A | |
| SCHEMBL988710 | 0.69 | MAP3K14 (0.55) | PIK3CAPIK3CBNPC1RAB9ACLK1 | |
| SCHEMBL989459 | 0.69 | PIK3CA (0.34) | PIK3CAPIK3CBMAPTNPC1RAB9A | |
| SCHEMBL1516965 | 0.69 | KDM4E (0.41) | PIK3CARIPK1ESR1ESR2ALDH1A1 |
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 |