Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP4 | P49662 | 1/20 | 0.39 |
| ▸ | CASP5 | P51878 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2378615 | 0.87 | PIK3CA (0.60) | PIK3CALMNAALDH1A1MAPT | |
| SCHEMBL19623360 | 0.78 | PIK3CA (0.46) | PIK3CAL3MBTL1LMNAHPGDALDH1A1 | |
| SCHEMBL24698856 | 0.73 | PIK3CA (0.47) | PIK3CAL3MBTL1LMNAHPGDALDH1A1 | |
| SCHEMBL19623647 | 0.70 | PIK3CA (0.50) | PIK3CAL3MBTL1LMNAHPGDALDH1A1 | |
| SCHEMBL13872584 | 0.69 | PIK3CA (0.58) | PIK3CA | |
| SCHEMBL13012640 | 0.69 | PIK3CA (0.49) | PIK3CA | |
| SCHEMBL19623552 | 0.69 | PIK3CA (0.69) | PIK3CA | |
| SCHEMBL2339520 | 0.68 | HTR2C (0.61) | L3MBTL1LMNAKDM4EKMT2ATDP1 | |
| SCHEMBL2339714 | 0.68 | HTR2C (0.58) | TDP1USP2SMN1; SMN2 | |
| SCHEMBL2342040 | 0.67 | HTR2A (0.54) | — |
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 |