Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | HINT1 | P49773 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19187636 | 0.92 | ADORA3 (0.32) | ADORA3ADORA2AADORA2BADORA1HINT1 | |
| SCHEMBL19187748 | 0.84 | CYP3A4 (0.34) | ADORA3ADORA2AADORA2BADORA1HINT1 | |
| SCHEMBL19187046 | 0.80 | CYP3A4 (0.44) | ADORA3ADORA2AADORA2BADORA1HINT1 | |
| SCHEMBL19187670 | 0.79 | CYP3A4 (0.38) | HINT1 | |
| SCHEMBL19186749 | 0.78 | CYP3A4 (0.39) | ADORA3ADORA2AADORA2BADORA1HINT1 | |
| SCHEMBL13469574 | 0.77 | CYP3A4 (0.34) | ADORA3ADORA2AADORA2BADORA1HINT1 | |
| SCHEMBL23992605 | 0.77 | HINT1 (0.43) | ADORA3ADORA2AADORA2BADORA1HINT1 | |
| SCHEMBL19187125 | 0.76 | CYP3A4 (0.33) | ADORA3ADORA2AADORA2BADORA1HINT1 | |
| SCHEMBL13469572 | 0.76 | BTN3A1 (0.39) | ADORA3ADORA2AADORA2BADORA1HINT1 | |
| SCHEMBL19187866 | 0.76 | CYP3A4 (0.37) | ADORA3ADORA2AADORA2BADORA1HINT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2696679-B1 | 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME (US) | 2017-08-02 | — | — | EP | disclosed |