Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.68 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.60 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23684548 | 1.00 | ESR2 (0.68) | ESR2NR1H2ERCC1ERCC4HSP90AA1 | |
| SCHEMBL31359293 | 0.90 | ESR2 (0.72) | ESR2NR1H2ERCC1ERCC4MAPK1 | |
| SCHEMBL5599903 | 0.90 | ESR2 (0.72) | ESR2NR1H2ERCC1ERCC4MAPK1 | |
| SCHEMBL31173498 | 0.86 | ESR2 (0.63) | ESR2NR1H2MAPK1DDB1CRBN | |
| SCHEMBL26956128 | 0.86 | NR1H2 (0.65) | ESR2NR1H2MAPK1DDB1CRBN | |
| SCHEMBL4169066 | 0.86 | NR1H2 (0.65) | ESR2NR1H2MAPK1DDB1CRBN | |
| SCHEMBL25345784 | 0.85 | ESR2 (0.66) | ESR2NR1H2MAPK1DDB1CRBN | |
| SCHEMBL21954131 | 0.85 | ESR2 (0.62) | ESR2NR1H2MAPK1MAPTMEN1 | |
| SCHEMBL23684302 | 0.84 | ESR2 (0.64) | ESR2NR1H2MAPK1DDB1CRBN | |
| SCHEMBL21470912 | 0.84 | ESR2 (0.64) | ESR2NR1H2MAPK1DDB1CRBN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115594669-B | Parallel ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2024-11-05 | — | — | CN | disclosed |
| CN-115594669-A | Fused ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |