Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28705568 | 0.99 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DHTR2A | |
| SCHEMBL28261225 | 0.89 | PTGS2 (0.45) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL28709337 | 0.88 | PTGS2 (0.45) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL29374174 | 0.88 | PDE4A (0.61) | PDE4APDE4BPDE4CPDE4DHTR2A | |
| SCHEMBL28700876 | 0.88 | PDE4A (0.61) | PDE4APDE4BPDE4CPDE4DHTR2A | |
| SCHEMBL29374838 | 0.88 | TUBB4A (0.43) | PDE4APDE4BPDE4CPDE4DHTR2A | |
| SCHEMBL28705573 | 0.88 | TUBB4A (0.43) | PDE4APDE4BPDE4CPDE4DHTR2A | |
| SCHEMBL28691204 | 0.87 | PTGS2 (0.45) | NPC1PTGS1PTGS2KDM4EMAPK1 | |
| SCHEMBL28709340 | 0.87 | BCHE (0.43) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL21157448 | 0.79 | HTR2A (0.68) | HTR2AHTR2CHTR2BPTGS1PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109020890-B | Preparation and application of saturated aliphatic cyclo-pyrazole derivatives | 南京大学 | 2022-02-08 | — | — | CN | disclosed |