Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 18/20 | 0.64 |
| ▸ | PIK3R1 | P27986 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL12246798 | 0.88 | PIK3CA (0.64) | PIK3CAPIK3R1 | |
| SCHEMBL2378158 | 0.83 | PIK3CA (0.72) | PIK3CAPIK3R1CYP1A2CYP3A4CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL2377028 | 0.81 | PIK3CA (0.58) | PIK3CAPIK3R1 | |
| SCHEMBL19623308 | 0.79 | PIK3CA (0.86) | PIK3CAPIK3R1 | |
| SCHEMBL2378456 | 0.79 | PIK3CA (0.86) | PIK3CA | |
| SCHEMBL12248484 | 0.79 | PIK3CA (0.64) | PIK3CAPIK3R1 | |
| SCHEMBL2376918 | 0.78 | PIK3CA (0.64) | PIK3CAPIK3R1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2378496 | 0.78 | PIK3CA (1.00) | PIK3CAPIK3R1 | |
| SCHEMBL2377827 | 0.77 | PIK3CA (0.72) | PIK3CAPIK3R1 | |
| SCHEMBL2378155 | 0.77 | PIK3CA (0.73) | PIK3CAPIK3R1CYP1A2CYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2050749-B1 | PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2017-11-22 | — | — | EP | disclosed |