Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 14/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | MERTK | Q12866 | 4/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21621280 | 1.00 | RPS6KA3 (0.44) | RPS6KA3ADORA1ADORA2AMERTKNUDT1 | |
| SCHEMBL29947098 | 0.87 | ADORA1 (0.57) | ADORA1ADORA2AMERTK | |
| SCHEMBL21621274 | 0.87 | ADORA1 (0.57) | ADORA1ADORA2AMERTK | |
| SCHEMBL21621303 | 0.77 | ADORA1 (0.48) | RPS6KA3ADORA1ADORA2AMERTK | |
| SCHEMBL29947148 | 0.77 | ADORA1 (0.48) | RPS6KA3ADORA1ADORA2AMERTK | |
| SCHEMBL30353598 | 0.76 | ADORA1 (0.50) | RPS6KA3ADORA1ADORA2A | |
| SCHEMBL28345465 | 0.76 | ADORA1 (0.50) | RPS6KA3ADORA1ADORA2A | |
| SCHEMBL5217883 | 0.75 | NUDT1 (0.53) | RPS6KA3ADORA1ADORA2ANUDT1 | |
| SCHEMBL30353566 | 0.72 | ADORA1 (0.44) | RPS6KA3ADORA1ADORA2A | |
| SCHEMBL28345412 | 0.72 | ADORA1 (0.44) | RPS6KA3ADORA1ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111094254-B | Heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-26 | — | — | CN | disclosed |