Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | GLA | P06280 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 16/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899255 | 0.84 | PIK3CA (0.53) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL189653 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HSD17B10GLAGAAMAPK1 | |
| SCHEMBL189496 | 0.81 | PIK3CA (0.66) | PIK3CAMTOR | |
| SCHEMBL12095760 | 0.79 | CDK4 (0.42) | — | |
| SCHEMBL3693426 | 0.77 | ALDH1A1 (0.81) | ALDH1A1HSD17B10GLAGAAMAPK1 | |
| SCHEMBL189497 | 0.76 | PIK3CA (0.38) | ALDH1A1HSD17B10GLAGAAMAPK1 | |
| Voxtalisib SCHEMBL3341496 | 0.75 | PIK3CA (0.63) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL189391 | 0.73 | ALDH1A1 (0.60) | ALDH1A1HSD17B10GLAGAAMAPK1 | |
| SCHEMBL189326 | 0.72 | ALDH1A1 (0.65) | ALDH1A1HSD17B10GLAGAAMAPK1 | |
| SCHEMBL189483 | 0.71 | ALDH1A1 (0.60) | ALDH1A1HSD17B10GLAGAAMAPK1 |
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-2056829-B9 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-09-26 | — | — | EP | claimed |
| EP-2056829-B1 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-01-04 | — | — | EP | claimed |