Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL619505 | 0.94 | TDP1 (0.50) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL29156768 | 0.91 | CYP3A4 (0.48) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL1579329 | 0.89 | TDP1 (0.50) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL4418220 | 0.87 | CYP3A4 (0.55) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL5598857 | 0.77 | CYP3A4 (0.75) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL41028 | 0.77 | TP53 (0.41) | TDP1ESR2KDM4EERCC5FEN1 | |
| SCHEMBL4055738 | 0.77 | CYP3A4 (0.75) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL1823 | 0.77 | CYP3A4 (0.75) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL211632 | 0.77 | CYP3A4 (0.75) | CYP3A4TDP1ESR2ESR1KDM4E | |
| SCHEMBL6415873 | 0.74 | CYP3A4 (0.71) | CYP3A4TDP1ESR2ESR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113292539-B | Substituted oxopyridine derivatives | 拜耳制药股份公司 | 2023-12-22 | — | — | CN | disclosed |