Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 8/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19623572 | 0.92 | PIK3CA (0.49) | PIK3CAMEN1THRBKMT2AATM | |
| SCHEMBL19623865 | 0.88 | PIK3CA (0.50) | PIK3CAMEN1THRBKMT2AATM | |
| SCHEMBL24698899 | 0.87 | PRKD1 (0.42) | PIK3CAMEN1KMT2AGAAMTOR | |
| SCHEMBL19623601 | 0.85 | PIK3CA (0.49) | PIK3CAMEN1KMT2APIK3CGMTOR | |
| SCHEMBL19623874 | 0.84 | MEN1 (0.48) | PIK3CAMEN1KMT2AMTORALDH1A1 | |
| SCHEMBL24697994 | 0.83 | PIK3CA (0.45) | PIK3CAMEN1KMT2APARP1GAA | |
| SCHEMBL24697633 | 0.83 | PIK3CA (0.41) | PIK3CAMEN1KMT2APIK3CDPIK3CG | |
| SCHEMBL2376111 | 0.81 | PIK3CA (0.77) | PIK3CA | |
| SCHEMBL19623871 | 0.79 | PIK3CA (0.47) | PIK3CAHDAC3MTORKDM4EALDH1A1 | |
| SCHEMBL19623809 | 0.79 | PIK3CA (0.52) | PIK3CAPARP1PIK3CGNAMPTMAPK8 |
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 |