Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL29097892 | 1.00 | ESR2 (0.56) | ESR2NR1H2CYP4F2CYP4A11MAOB | |
| SCHEMBL30199116 | 1.00 | ESR2 (0.56) | ESR2NR1H2CYP4F2CYP4A11MAOB | |
| SCHEMBL29097963 | 0.91 | ESR2 (0.53) | ESR2NR1H2CYP4F2CYP4A11S1PR1 | |
| SCHEMBL30199177 | 0.91 | ESR2 (0.53) | ESR2NR1H2CYP4F2CYP4A11S1PR1 | |
| SCHEMBL30198885 | 0.91 | ESR2 (0.53) | ESR2NR1H2CYP4F2CYP4A11S1PR1 | |
| SCHEMBL29097849 | 0.91 | ESR2 (0.53) | ESR2NR1H2CYP4F2CYP4A11S1PR1 | |
| SCHEMBL30199620 | 0.91 | ESR2 (0.53) | ESR2NR1H2CYP4F2CYP4A11S1PR1 | |
| SCHEMBL29097838 | 0.90 | ESR2 (0.58) | ESR2NR1H2MAOBHRH3MAPK1 | |
| SCHEMBL30199070 | 0.90 | ESR2 (0.58) | ESR2NR1H2MAOBHRH3MAPK1 | |
| SCHEMBL31317916 | 0.87 | ESR2 (0.55) | ESR2NR1H2MAOBHRH3GHSR |
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-115594669-B | Parallel ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2024-11-05 | — | — | CN | disclosed |
| CN-115594669-A | Fused ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |