Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28739714 | 0.91 | HDAC1 (0.50) | ESR2NR1H2HDAC1MAPK1MAPT | |
| SCHEMBL17890573 | 0.86 | ESR2 (0.62) | ESR2NR1H2HDAC1MAPK1MAPT | |
| SCHEMBL29590263 | 0.86 | ESR2 (0.62) | ESR2NR1H2HDAC1MAPK1MAPT | |
| SCHEMBL25949733 | 0.85 | NR1H2 (0.62) | ESR2NR1H2HDAC1MAPK1MAPT | |
| SCHEMBL19599675 | 0.84 | ESR2 (0.56) | ESR2NR1H2HDAC1MAPK1MAPT | |
| SCHEMBL30406130 | 0.84 | ESR2 (0.56) | ESR2NR1H2MAPK1MAPTHCRTR1 | |
| SCHEMBL14925189 | 0.84 | ESR2 (0.56) | ESR2NR1H2MAPK1MAPTHCRTR1 | |
| SCHEMBL14916596 | 0.84 | ESR2 (0.56) | ESR2NR1H2MAPK1MAPTHCRTR1 | |
| SCHEMBL31597683 | 0.84 | ESR2 (0.61) | ESR2NR1H2HDAC1MAPK1MAPT | |
| SCHEMBL2805947 | 0.84 | ESR2 (0.61) | ESR2NR1H2HDAC1MAPK1MAPT |
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-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 |