Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CLK3 | P49761 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25316199 | 0.86 | ESR2 (0.44) | ESR2ESR1MAPTMEN1ALDH1A1 | |
| SCHEMBL25913124 | 0.84 | ESR1 (0.43) | ESR2ESR1MAPTMEN1ALDH1A1 | |
| SCHEMBL31010902 | 0.84 | ESR1 (0.43) | ESR2ESR1MAPTMEN1ALDH1A1 | |
| SCHEMBL25317161 | 0.84 | ESR1 (0.43) | ESR2ESR1MAPTMEN1ALDH1A1 | |
| SCHEMBL25322198 | 0.84 | ESR2 (0.43) | ESR2ESR1MAPTMEN1ALDH1A1 | |
| SCHEMBL25317420 | 0.83 | ESR1 (0.40) | ESR2ESR1MAPTMEN1ALDH1A1 | |
| SCHEMBL25913125 | 0.81 | KCNH2 (0.41) | ESR2ESR1MAPTMEN1ALDH1A1 | |
| SCHEMBL25317059 | 0.81 | PDGFRB (0.47) | ESR2ESR1MAPTPDE3BPDE3A | |
| SCHEMBL25317946 | 0.80 | ESR1 (0.39) | ESR2ESR1MAPTMEN1ALDH1A1 | |
| SCHEMBL25914664 | 0.79 | ESR1 (0.38) | ESR2ESR1MAPTAPPBACE1 |
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 |