Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | SLC29A1 | Q99808 | 5/20 | 0.56 |
| ▸ | PGK1 | P00558 | 1/20 | 0.53 |
| ▸ | PGK2 | P07205 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL19186882 | 1.00 | ADORA2A (0.59) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL2218888 | 0.92 | ADORA2A (0.70) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL17613038 | 0.91 | CYP2C19 (0.60) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL12277615 | 0.91 | CYP2C19 (0.60) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL16081039 | 0.90 | ADORA2A (0.59) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL8970895 | 0.89 | ADORA2A (0.62) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL8970907 | 0.89 | ADORA2A (0.62) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL17198497 | 0.88 | ADORA2A (0.59) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL16081038 | 0.86 | ADORA2A (0.56) | ADORA2AADORA2BADORA3ADORA1CYP2C19 | |
| SCHEMBL20058712 | 0.86 | CYP2C19 (0.64) | ADORA2AADORA2BADORA3ADORA1CYP2C19 |
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-2012142085-A1 | 2'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-10-18 | — | — | WO | disclosed |