Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL30185791 | 0.72 | ALDH1A1 (0.43) | GSK3AGSK3BALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL24434164 | 0.72 | ALDH1A1 (0.43) | GSK3AGSK3BALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28995817 | 0.71 | PARP10 (0.39) | PARP10PARP11PARP1HTR2AHTR2C | |
| SCHEMBL28995605 | 0.69 | PARP10 (0.37) | PARP10PARP11PARP1NISCHHTR2A | |
| SCHEMBL28995727 | 0.69 | RYR2 (0.38) | NISCHALDH1A1MAPTHTR2AHTR2C | |
| SCHEMBL12470806 | 0.68 | MAOB (0.39) | GSK3AGSK3BIGF1RALDH1A1ALDH2 | |
| SCHEMBL8006619 | 0.68 | NISCH (0.49) | PARP10PARP11NISCHHTR2C | |
| SCHEMBL19794338 | 0.66 | MAOA (0.38) | GSK3AGSK3BIGF1RALDH1A1ALDH2 | |
| SCHEMBL31225112 | 0.66 | OPRM1 (0.32) | NISCH | |
| SCHEMBL13830475 | 0.66 | NISCH (0.57) | LMNANISCHGAA |
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 |