Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL13170396 | 0.82 | NISCH (0.46) | PARP10PARP11PARP1NISCHHTR2A | |
| SCHEMBL16933963 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL28995683 | 0.69 | PARP10 (0.37) | PARP10PARP11PARP1NISCHHTR2A | |
| SCHEMBL24938386 | 0.68 | ALDH1A1 (0.48) | — | |
| SCHEMBL28995816 | 0.67 | NISCH (0.46) | NISCH | |
| SCHEMBL5769479 | 0.67 | CYP2A6 (0.40) | PARP1 | |
| SCHEMBL28995846 | 0.67 | NISCH (0.31) | NISCH | |
| SCHEMBL12997917 | 0.67 | IDO1 (0.35) | — | |
| SCHEMBL62013 | 0.65 | — | — | |
| SCHEMBL8164803 | 0.65 | ALDH1A1 (0.53) | — |
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-116057047-A | Synthesis of heterocyclic compounds from carboxamides and carboxamide derivatives and haloalkanols | 夸祖鲁-纳塔尔大学 | 2023-05-02 | — | — | CN | disclosed |