Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.32 |
| ▸ | CSF1R | P07333 | 2/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25913145 | 0.87 | ESR1 (0.37) | ESR1ESR2CYP3A4BACE1PDGFRB | |
| SCHEMBL31010902 | 0.85 | ESR1 (0.43) | ESR1ESR2APPBACE1PDGFRB | |
| SCHEMBL25317161 | 0.85 | ESR1 (0.43) | ESR1ESR2APPBACE1PDGFRB | |
| SCHEMBL25317059 | 0.82 | PDGFRB (0.47) | ESR1ESR2BACE1PDGFRBCSF1R | |
| SCHEMBL25317420 | 0.82 | ESR1 (0.40) | ESR1ESR2BACE1PDGFRBCSF1R | |
| SCHEMBL25914528 | 0.81 | GAA (0.45) | CYP3A4MAPTEGFR | |
| SCHEMBL25914665 | 0.80 | CSF1R (0.39) | CYP3A4PDGFRBCSF1RPDGFRALCK | |
| SCHEMBL25913396 | 0.79 | ESR2 (0.46) | ESR1ESR2APPBACE1PDGFRB | |
| SCHEMBL25914667 | 0.78 | BRAF (0.44) | PDGFRBCSF1RPDGFRALCKKIT | |
| SCHEMBL25322198 | 0.78 | ESR2 (0.43) | ESR1ESR2APPBACE1PDGFRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125812-A1 | SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |