Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 2/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25839689 | 0.93 | JAK2 (0.33) | ALDH1A1KDM4ECCNA2CDK2HPGD | |
| SCHEMBL25842417 | 0.90 | ALDH1A1 (0.40) | ALDH1A1KDM4ECCNA2CDK2HPGD | |
| SCHEMBL25118106 | 0.85 | JAK2 (0.32) | ALDH1A1KDM4ECCNA2CDK2HPGD | |
| SCHEMBL25839577 | 0.85 | ALDH1A1 (0.35) | ALDH1A1KDM4ECCNA2CDK2HPGD | |
| SCHEMBL25416742 | 0.83 | ALDH1A1 (0.34) | ALDH1A1KDM4ECCNA2CDK2HPGD | |
| SCHEMBL25118112 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KDM4ECCNA2CDK2HPGD | |
| SCHEMBL25839652 | 0.83 | ALDH1A1 (0.31) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL25117861 | 0.82 | ALDH1A1 (0.33) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL25839656 | 0.82 | ALDH1A1 (0.33) | ALDH1A1KDM4ECCNA2CDK2HPGD | |
| SCHEMBL25118110 | 0.82 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4163283-A1 | COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF | Scinnohub Pharmaceutical Co., Ltd (CN) | 2023-04-12 | — | — | EP | disclosed |