Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL30091585 | 0.85 | KDM5A (0.41) | GPR52AURKARPS6KB1BTKPARP1 | |
| SCHEMBL23927492 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL30091689 | 0.81 | RPS6KB1 (0.38) | GPR52AURKARPS6KB1PARP1 | |
| SCHEMBL30091533 | 0.81 | RIPK1 (0.37) | CES2CES1RIPK1 | |
| SCHEMBL30091705 | 0.80 | MMP13 (0.41) | BTKPARP1 | |
| SCHEMBL30091570 | 0.80 | GPR52 (0.43) | GPR52AURKARPS6KB1 | |
| SCHEMBL15964865 | 0.79 | MAOB (0.39) | MAOB | |
| SCHEMBL30091702 | 0.78 | MMP2 (0.36) | — | |
| SCHEMBL30091645 | 0.77 | GPR52 (0.45) | GPR52PARP1 | |
| SCHEMBL21190099 | 0.77 | KLKB1 (0.34) | BTKPARP1 |
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-113166116-B | Amido bridged heterocyclic compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-12-27 | — | — | CN | disclosed |