Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.62 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17890573 | 1.00 | ESR2 (0.62) | ESR2NR1H2MAPK1HDAC1MAPT | |
| SCHEMBL5599903 | 0.88 | ESR2 (0.72) | ESR2NR1H2MAPK1HDAC1MAPT | |
| SCHEMBL31359293 | 0.88 | ESR2 (0.72) | ESR2NR1H2MAPK1HDAC1MAPT | |
| SCHEMBL31198112 | 0.86 | ESR2 (0.57) | ESR2NR1H2MAPK1HDAC1MAPT | |
| SCHEMBL25949733 | 0.86 | NR1H2 (0.62) | ESR2NR1H2MAPK1HDAC1MAPT | |
| SCHEMBL30406130 | 0.85 | ESR2 (0.56) | ESR2NR1H2MAPK1MAPTNPC1 | |
| SCHEMBL14916596 | 0.85 | ESR2 (0.56) | ESR2NR1H2MAPK1MAPTNPC1 | |
| SCHEMBL14925189 | 0.85 | ESR2 (0.56) | ESR2NR1H2MAPK1MAPTNPC1 | |
| SCHEMBL19599675 | 0.85 | ESR2 (0.56) | ESR2NR1H2MAPK1HDAC1MAPT | |
| SCHEMBL31198098 | 0.83 | ESR2 (0.54) | ESR2NR1H2MAPK1HDAC1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118930552-A | Isobenzofuran-1 (3H) -one compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-11-12 | — | — | CN | disclosed |
| CN-118930553-A | 5,6,7, 8-Tetrahydrofuran [3,4-g ] isoquinoline-3 (1H) -ketone compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-11-12 | — | — | CN | disclosed |
| CN-115557968-A | Fused tetracyclic compound, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-01-03 | — | — | CN | disclosed |
| 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 |