Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21993354 | 0.80 | AAK1 (0.32) | ADORA1AAK1 | |
| SCHEMBL21993352 | 0.78 | AAK1 (0.34) | ADORA1AAK1BACE1 | |
| SCHEMBL18180190 | 0.78 | AAK1 (0.34) | ADORA1AAK1BACE1 | |
| SCHEMBL21992548 | 0.77 | HDAC1 (0.35) | ADORA1AAK1 | |
| SCHEMBL21992122 | 0.77 | POLQ (0.38) | ADORA1AAK1BACE1 | |
| SCHEMBL18180346 | 0.77 | USP30 (0.33) | ADORA1AAK1BACE1 | |
| SCHEMBL21993350 | 0.73 | STAT3 (0.35) | ADORA1AAK1BACE1 | |
| SCHEMBL21993358 | 0.72 | PAX8 (0.39) | ADORA1AAK1 | |
| SCHEMBL21992325 | 0.72 | ADORA1 (0.32) | ADORA1BACE1 | |
| SCHEMBL21992663 | 0.71 | ADORA1 (0.33) | ADORA1AAK1 |
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-3286166-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2020-05-13 | — | — | EP | disclosed |