Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 3/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 2/20 | 0.42 |
| ▸ | PRKDC | P78527 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PARG | Q86W56 | 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 | |
|---|---|---|---|---|
| SCHEMBL25407446 | 1.00 | MAPK1 (0.48) | MAPK1GSK3BPGRHSD17B10HPGD | |
| SCHEMBL30349792 | 0.81 | HSD17B10 (0.62) | HSD17B10HPGDHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL25407471 | 0.81 | HSD17B10 (0.62) | HSD17B10HPGDHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL19020262 | 0.79 | HPGD (0.58) | HSD17B10HPGDHTTALDH1A1 | |
| SCHEMBL30349863 | 0.78 | FGFR1 (0.47) | MAPK1GSK3BPGRHSD17B10HPGD | |
| SCHEMBL25405399 | 0.78 | FGFR1 (0.47) | MAPK1GSK3BPGRHSD17B10HPGD | |
| Cyanide SCHEMBL25404500 | 0.76 | MAPK1 (0.40) | MAPK1GSK3BPGRHSD17B10HPGD | |
| SCHEMBL26280685 | 0.74 | GSK3B (0.45) | MAPK1GSK3BPGRHSD17B10HPGD | |
| SCHEMBL30349771 | 0.74 | KDM4E (0.49) | HSD17B10HPGDHTTALDH1A1PDE4B | |
| SCHEMBL25406772 | 0.74 | KDM4E (0.49) | HSD17B10HPGDHTTALDH1A1PDE4B |
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-115867277-A | Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof | 韩国科学技术研究院 | 2023-03-28 | — | — | CN | disclosed |