Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 11/20 | 0.70 |
| ▸ | PDE4D | Q08499 | 11/20 | 0.70 |
| ▸ | PDE4A | P27815 | 10/20 | 0.70 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.70 |
| ▸ | CA12 | O43570 | 1/20 | 0.69 |
| ▸ | CA1 | P00915 | 1/20 | 0.69 |
| ▸ | CA2 | P00918 | 1/20 | 0.69 |
| ▸ | CA4 | P22748 | 1/20 | 0.69 |
| ▸ | CA6 | P23280 | 1/20 | 0.69 |
| ▸ | CA7 | P43166 | 1/20 | 0.69 |
| ▸ | TPMT | P51580 | 1/20 | 0.69 |
| ▸ | CA9 | Q16790 | 1/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1028427 | 0.94 | PDE4B (0.80) | PDE4BPDE4DPDE4APDE4CCA12 | |
| SCHEMBL30009845 | 0.94 | PDE4B (0.80) | PDE4BPDE4DPDE4APDE4CCA12 | |
| SCHEMBL16516951 | 0.94 | CA12 (0.69) | PDE4BPDE4DPDE4APDE4CCA12 | |
| SCHEMBL7336609 | 0.92 | PDE4D (0.78) | PDE4BPDE4DPDE4APDE4CCA12 | |
| SCHEMBL9005494 | 0.92 | PDE4D (0.78) | PDE4BPDE4DPDE4APDE4CCA12 | |
| Hydrochloric Acid SCHEMBL6586041 | 0.92 | PDE4B (0.78) | PDE4BPDE4DPDE4APDE4CCA12 | |
| SCHEMBL18031251 | 0.90 | PDE4B (0.56) | PDE4BPDE4DPDE4APDE4CCA12 | |
| SCHEMBL7344303 | 0.90 | CA12 (0.59) | PDE4BPDE4DPDE4APDE4CCA12 | |
| SCHEMBL7344294 | 0.90 | CA12 (0.59) | PDE4BPDE4DPDE4APDE4CCA12 | |
| SCHEMBL7356965 | 0.90 | PDE4D (0.71) | PDE4BPDE4DPDE4APDE4CCA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115073329-B | Novel leonurine derivative and preparation method and application thereof | 中国海洋大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-115068462-A | Application of novel leonurine marine derivative in preparation of medicines for preventing and treating inflammatory diseases or allergy | 中国海洋大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-115073329-A | Novel leonurine derivative and preparation method and application thereof | 中国海洋大学 | 2022-09-20 | — | — | CN | disclosed |