Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | MAT2A | P31153 | 8/20 | 0.33 |
| ▸ | FLT3 | P36888 | 2/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.32 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | CSF1R | P07333 | 2/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25914664 | 0.87 | ESR1 (0.38) | ESR1ESR2BACE1FLT3FGFR1 | |
| SCHEMBL31010902 | 0.84 | ESR1 (0.43) | ESR1ESR2BACE1FLT3FGFR1 | |
| SCHEMBL25317161 | 0.84 | ESR1 (0.43) | ESR1ESR2BACE1FLT3FGFR1 | |
| SCHEMBL25317420 | 0.81 | ESR1 (0.40) | ESR1ESR2BACE1FLT3FGFR1 | |
| SCHEMBL25317059 | 0.81 | PDGFRB (0.47) | ESR1ESR2BACE1MTORFLT3 | |
| SCHEMBL25914528 | 0.80 | GAA (0.45) | KDRCYP3A4 | |
| SCHEMBL25910424 | 0.79 | BRAF (0.47) | FLT3KDRCSF1RPDGFRBLCK | |
| SCHEMBL25913396 | 0.78 | ESR2 (0.46) | ESR1ESR2BACE1FGFR1PDGFRB | |
| SCHEMBL25316199 | 0.77 | ESR2 (0.44) | ESR1ESR2BACE1FGFR1FGFR2 | |
| SCHEMBL25322198 | 0.75 | ESR2 (0.43) | ESR1ESR2BACE1FGFR1PDGFRB |
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 |