Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 18/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 14/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 12/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 12/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | VEGFA | P15692 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30823798 | 1.00 | PDE4A (0.56) | PDE4APDE4DPDE4BPDE4CCYP3A4 | |
| SCHEMBL28645245 | 1.00 | PDE4A (0.56) | PDE4APDE4DPDE4BPDE4CCYP3A4 | |
| SCHEMBL28645237 | 0.83 | FPR1 (0.48) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL28645234 | 0.83 | FPR1 (0.48) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL28657641 | 0.79 | HTR2C (0.41) | PDE4DKMT2A | |
| SCHEMBL28657639 | 0.79 | HTR2C (0.41) | PDE4DKMT2A | |
| SCHEMBL28653227 | 0.77 | MMP13 (0.40) | — | |
| SCHEMBL28653229 | 0.77 | MMP13 (0.40) | — | |
| SCHEMBL2799305 | 0.76 | PDE4A (0.57) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL2799239 | 0.76 | PDE4A (0.57) | PDE4APDE4DPDE4BPDE4C |
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-113461599-B | Process for preparing piperidone compounds | 南方科技大学 | 2024-02-09 | — | — | CN | disclosed |
| CN-113461599-A | Process for producing piperidone compound | 南方科技大学 | 2021-10-01 | — | — | CN | disclosed |