Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 14/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 13/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27395438 | 0.76 | APP (0.41) | APP | |
| SCHEMBL25908715 | 0.76 | ADORA2A (0.39) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL9462640 | 0.75 | RAB9A (0.43) | CYP3A4CYP3A5 | |
| SCHEMBL25281119 | 0.71 | APP (0.45) | APP | |
| SCHEMBL30437614 | 0.70 | HCAR2 (0.55) | HCAR2CYP3A4 | |
| SCHEMBL355454 | 0.69 | CES2 (0.53) | — | |
| SCHEMBL25232209 | 0.69 | ADORA2A (0.42) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL22608911 | 0.69 | ADORA2A (0.37) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL31205660 | 0.69 | ADORA2A (0.42) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL25261485 | 0.69 | ADORA2A (0.42) | ADORA2AADORA1ADORA3ADORA2B |
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-2022221686-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2022-10-20 | — | — | WO | disclosed |