Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.44 |
| ▸ | MAP3K5 | Q99683 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17891266 | 1.00 | ESR2 (0.44) | ESR2NR1H2MAP3K5ESR1ABHD6 | |
| SCHEMBL17890945 | 0.90 | ESR2 (0.48) | ESR2NR1H2MAP3K5ESR1ABHD6 | |
| SCHEMBL29590780 | 0.90 | ESR2 (0.48) | ESR2NR1H2MAP3K5ESR1ABHD6 | |
| SCHEMBL16417185 | 0.89 | ESR1 (0.40) | ESR2ESR1ALDH1A1HSD17B10HPGD | |
| SCHEMBL2314630 | 0.83 | ESR2 (0.39) | ESR2NR1H2ALDH1A1 | |
| SCHEMBL30390511 | 0.81 | ESR2 (0.56) | ESR2NR1H2MAP3K5HSD17B10HCRTR2 | |
| SCHEMBL21954157 | 0.81 | ESR2 (0.56) | ESR2NR1H2MAP3K5HSD17B10HCRTR2 | |
| SCHEMBL26132579 | 0.81 | ESR2 (0.56) | ESR2NR1H2MAP3K5HSD17B10HCRTR2 | |
| SCHEMBL31198125 | 0.81 | ESR2 (0.51) | ESR2NR1H2MAP3K5ESR1ABHD6 | |
| SCHEMBL23125217 | 0.80 | ESR2 (0.62) | ESR2NR1H2MAP3K5ESR1ABHD6 |
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-109456324-B | Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2022-04-22 | — | — | CN | disclosed |