Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 8/20 | 0.75 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.75 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.75 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.75 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.75 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.65 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.65 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.65 |
| ▸ | CFTR | P13569 | 1/20 | 0.63 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.59 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.57 |
| ▸ | ALPL | P05186 | 1/20 | 0.57 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL21381258 | 0.87 | PDE4A (0.92) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL7458212 | 0.86 | PDE4A (0.89) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL28130992 | 0.86 | PDE4A (0.75) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| Iodide SCHEMBL28973314 | 0.86 | PDE4A (0.89) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL27652257 | 0.86 | PDE4A (0.79) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL7109948 | 0.86 | PDE4A (1.00) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL29581286 | 0.85 | PDE4A (0.75) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL9430800 | 0.85 | PDE4A (0.73) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL10854933 | 0.85 | PDE4A (0.73) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL8656750 | 0.85 | PDE4A (0.87) | PDE4AADORA2APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113816999-B | Caffeine-derived azacyclo-carbene-palladium complex and synthesis method and catalytic application thereof | 常州大学 | 2022-08-26 | — | — | CN | disclosed |
| CN-113816999-A | Caffeine-derived azacyclo-carbene-palladium complex and synthesis method and catalytic application thereof | 常州大学 | 2021-12-21 | — | — | CN | disclosed |
| EP-2159226-B1 | ANTIHISTAMINIC AND ANTIALLERGIC AGENT AND A METHOD FOR THE PRODUCTION THEREOF. | JOINT STOCK COMPANY OBNINSK CHEMICAL PHARMACEUTICAL COMPANY (RU) | 2016-08-31 | — | — | EP | disclosed |
| EP-2159226-A1 | ANTIHISTAMINIC AND ANTIALLERGIC AGENT AND A METHOD FOR THE PRODUCTION THEREOF. | Obschestvo S Ogranishennoi Otvetstvennostu "Farmving" (RU) | 2010-03-03 | — | — | EP | disclosed |