Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL20708020 | 0.90 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL19423057 | 0.90 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL30184680 | 0.90 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL29500979 | 0.90 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL19423198 | 0.90 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL29501019 | 0.90 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL19423024 | 0.88 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL20707987 | 0.88 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL30479081 | 0.86 | TDP1 (0.44) | PDE4APDE4BPDE4CPDE4DHDAC1 | |
| SCHEMBL24167129 | 0.86 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DHDAC1 |
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-112624949-B | Chiral diaryl-beta-lactam compound, preparation method and pharmaceutical application thereof | 复旦大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-112624949-A | Chiral diaryl-beta-lactam compound and preparation method and pharmaceutical application thereof | 复旦大学 | 2021-04-09 | — | — | CN | disclosed |