Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.57 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.57 |
| ▸ | KDR | P35968 | 2/20 | 0.53 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.53 |
| ▸ | TEK | Q02763 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | EIF4EBP1 | Q13541 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28624352 | 0.86 | NOD1 (0.56) | NOD1NOD2KDREPHB4TEK | |
| SCHEMBL28617719 | 0.78 | NOD1 (0.68) | NOD1NOD2KDREPHB4TEK | |
| SCHEMBL4148739 | 0.76 | PARP1 (0.51) | PARP1ALDH1A1MAP4K4ACVR1SLC2A1 | |
| Hydrochloric Acid SCHEMBL4153333 | 0.75 | PARP1 (0.50) | PARP1ALDH1A1MAP4K4ACVR1SLC2A1 | |
| SCHEMBL4141934 | 0.71 | SLC2A1 (0.54) | PARP1ALDH1A1ACVR1SLC2A1IP6K1 | |
| SCHEMBL4141791 | 0.71 | IP6K1 (0.52) | PARP1ALDH1A1SLC2A1IP6K1 | |
| SCHEMBL28694686 | 0.69 | DCLRE1B (0.56) | MAP4K4KMO | |
| SCHEMBL643424 | 0.68 | ALDH1A1 (1.00) | KDREPHB4TEKPARP1ALDH1A1 | |
| SCHEMBL29784205 | 0.68 | PARP1 (1.00) | PARP1ALDH1A1ACVR1SLC2A1IP6K1 | |
| SCHEMBL29898482 | 0.68 | ALDH1A1 (1.00) | KDREPHB4TEKPARP1ALDH1A1 |
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-113354590-A | Quinazolinone compound for antagonizing NOD1/2 receptor signal pathway | 宁波康柏睿格医药科技有限公司 | 2021-09-07 | — | — | CN | disclosed |