Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.41 |
| ▸ | PDE4A | P27815 | 13/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 13/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 13/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 13/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21539441 | 0.85 | ALDH1A1 (0.36) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18520818 | 0.79 | ALDH1A1 (0.42) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4165610 | 0.79 | PDE4A (0.38) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL18520991 | 0.77 | ALDH1A1 (0.40) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21137393 | 0.76 | ADORA2A (0.36) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4163748 | 0.76 | PNP (0.32) | ALDH1A1 | |
| SCHEMBL4165764 | 0.76 | PNP (0.34) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL4168419 | 0.75 | ALDH1A1 (0.34) | ALDH1A1BLM | |
| SCHEMBL21273229 | 0.75 | ALDH1A1 (0.39) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL867287 | 0.75 | KDR (0.42) | ADORA2APDE4APDE4BPDE4CPDE4D |
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-2017027646-A1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-02-16 | — | — | WO | disclosed |