Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 10/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL19623495 | 0.83 | KDM4E (0.57) | PIK3CAKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL2377918 | 0.82 | PIK3CA (0.51) | PIK3CATSHRHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL19623545 | 0.81 | PIK3CA (0.62) | PIK3CAKDM4EALDH1A1 | |
| SCHEMBL2379437 | 0.80 | PIK3CA (0.55) | PIK3CAPRKDC | |
| SCHEMBL2375487 | 0.79 | PIK3CA (0.54) | PIK3CA | |
| SCHEMBL19623405 | 0.78 | PIK3CA (0.52) | PIK3CAKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL19623413 | 0.76 | PIK3CA (0.51) | PIK3CA | |
| SCHEMBL2377626 | 0.76 | PIK3CA (0.51) | PIK3CA | |
| SCHEMBL19623634 | 0.76 | PIK3CA (0.51) | PIK3CAKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL24698176 | 0.75 | KDM4E (0.44) | PIK3CAKDM4EALDH1A1HPGDHTT |
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 |