Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | CAMKK1 | Q8N5S9 | 2/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25522058 | 0.82 | ADORA2A (0.50) | ADORA2AGRM4PDE4APDE4BPDE4C | |
| SCHEMBL30719601 | 0.76 | ADORA2A (0.57) | ADORA2AGRM4PDE4APDE4BPDE4C | |
| SCHEMBL23496977 | 0.76 | ADORA2A (0.57) | ADORA2AGRM4PDE4APDE4BPDE4C | |
| SCHEMBL17003726 | 0.74 | ADORA2A (0.65) | ADORA2AGRM4PDE4APDE4BPDE4C | |
| SCHEMBL27739446 | 0.73 | ADORA2A (0.72) | ADORA2AGRM4PDE4APDE4BPDE4C | |
| SCHEMBL15811022 | 0.73 | ADORA2A (0.79) | ADORA2AGRM4PDE4APDE4BPDE4C | |
| SCHEMBL25521555 | 0.72 | ERN1 (0.50) | AAK1 | |
| SCHEMBL29986457 | 0.72 | ADORA2A (0.66) | ADORA2AGRM4CAMKK1CAMKK2PIK3CD | |
| SCHEMBL28872934 | 0.72 | ADORA2A (0.66) | ADORA2AGRM4CAMKK1CAMKK2PIK3CD | |
| SCHEMBL4640585 | 0.71 | ADORA2A (1.00) | ADORA2AGRM4PDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023086428-A2 | NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |