Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
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 | 0.82 | ESR2 (0.44) | ESR1ESR2MEN1ALDH1A1MAPT | |
| SCHEMBL25913396 | 0.80 | ESR2 (0.46) | ESR1ESR2MEN1ALDH1A1MAPT | |
| SCHEMBL25322198 | 0.77 | ESR2 (0.43) | ESR1ESR2MEN1ALDH1A1MAPT | |
| SCHEMBL25913124 | 0.77 | ESR1 (0.43) | ESR1ESR2MEN1ALDH1A1MAPT | |
| SCHEMBL25317161 | 0.77 | ESR1 (0.43) | ESR1ESR2MEN1ALDH1A1MAPT | |
| SCHEMBL31010902 | 0.77 | ESR1 (0.43) | ESR1ESR2MEN1ALDH1A1MAPT | |
| SCHEMBL25317420 | 0.77 | ESR1 (0.40) | ESR1ESR2MIFMEN1ALDH1A1 | |
| SCHEMBL25913125 | 0.75 | KCNH2 (0.41) | ESR1ESR2MEN1ALDH1A1MAPT | |
| SCHEMBL25317059 | 0.75 | PDGFRB (0.47) | ESR1ESR2MAPTABL1EGFR | |
| SCHEMBL25914664 | 0.72 | ESR1 (0.38) | ESR1ESR2MAPTABL1EGFR |
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 |