Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6321497 | 0.82 | PGR (0.54) | PGRL3MBTL1CYP2C9PKMNPC1 | |
| SCHEMBL6327974 | 0.80 | PGR (0.53) | PGRL3MBTL1CYP2C9PKMNPC1 | |
| SCHEMBL30255430 | 0.79 | PGR (0.49) | PGRL3MBTL1CYP2C9PKMNPC1 | |
| SCHEMBL5622356 | 0.78 | PGR (0.79) | PGRL3MBTL1PKMMAPTKEAP1 | |
| 1,4-Dimethoxybenzene SCHEMBL5960077 | 0.78 | CA1 (0.65) | L3MBTL1PKMNPC1MAPTRAB9A | |
| SCHEMBL5229021 | 0.77 | ALDH1A1 (0.53) | PGRMAPTCA1CA2CA9 | |
| SCHEMBL28435439 | 0.76 | APLNR (0.57) | PGRL3MBTL1CYP2C9PKMNPC1 | |
| SCHEMBL6534675 | 0.75 | PGR (0.71) | PGRL3MBTL1TP53MAPTRAB9A | |
| SCHEMBL10186886 | 0.74 | L3MBTL1 (0.83) | PGRL3MBTL1MAPTCA9CA12 | |
| SCHEMBL5228279 | 0.74 | CA12 (0.52) | PGRL3MBTL1PKMMAPTSMN1; SMN2 |
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-114539279-B | Oxidobicycloheptene sulfonamide compound containing five-membered nitrogen heterocycle and application thereof in preparation of anti-breast cancer drugs | 武汉大学 | 2023-02-24 | — | — | CN | disclosed |
| CN-114539279-A | Oxidobicycloheptene sulfonamide compound containing five-membered nitrogen heterocycle and application thereof in preparation of anti-breast cancer drugs | 武汉大学 | 2022-05-27 | — | — | CN | disclosed |