Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.60 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 3/20 | 0.42 |
| ▸ | JAK3 | P52333 | 3/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25407478 | 1.00 | ESR2 (0.60) | ESR2NR1H2NAMPTUCHL1MAPK1 | |
| SCHEMBL24842903 | 0.85 | ESR2 (0.65) | ESR2NR1H2NAMPTUCHL1MAPK1 | |
| SCHEMBL22821172 | 0.83 | ESR2 (0.57) | ESR2NR1H2NAMPTUCHL1MAPK1 | |
| SCHEMBL30593270 | 0.83 | ESR2 (0.69) | ESR2NR1H2NAMPTUCHL1MAPK1 | |
| SCHEMBL23124526 | 0.83 | ESR2 (0.69) | ESR2NR1H2NAMPTUCHL1MAPK1 | |
| SCHEMBL31428709 | 0.83 | ESR2 (0.54) | ESR2NR1H2NAMPTMAPK1KDM4E | |
| SCHEMBL29084888 | 0.82 | ESR2 (0.56) | ESR2NR1H2NAMPTUCHL1MAPK1 | |
| SCHEMBL30593231 | 0.82 | ESR2 (0.56) | ESR2NR1H2NAMPTUCHL1MAPK1 | |
| SCHEMBL22821061 | 0.82 | ESR2 (0.58) | ESR2NR1H2NAMPTUCHL1MAPK1 | |
| SCHEMBL29733605 | 0.82 | ESR2 (0.58) | ESR2NR1H2NAMPTUCHL1MAPK1 |
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-118742543-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-10-01 | — | — | CN | disclosed |
| CN-116789641-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2023-09-22 | — | — | CN | disclosed |