Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.48 |
| ▸ | WDR5 | P61964 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29891414 | 0.87 | KDM4E (0.51) | KDM4EHSD17B10ALDH1A1WDR5TDP1 | |
| SCHEMBL28293596 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1GAAMAPK1MAPT | |
| SCHEMBL15776926 | 0.78 | KDM4E (0.78) | KDM4EHSD17B10ALDH1A1CHEK1WDR5 | |
| SCHEMBL17287367 | 0.78 | KDM4E (0.60) | KDM4EHSD17B10ALDH1A1CHEK1WDR5 | |
| SCHEMBL29891269 | 0.75 | WDR5 (0.69) | WDR5 | |
| SCHEMBL27968017 | 0.75 | L3MBTL1 (0.49) | KDM4EALDH1A1WDR5GAAPOLB | |
| SCHEMBL2744322 | 0.75 | CHEK1 (0.61) | KDM4EALDH1A1CHEK1HTT | |
| SCHEMBL29891029 | 0.74 | WDR5 (0.52) | KDM4EHSD17B10ALDH1A1WDR5L3MBTL1 | |
| SCHEMBL12752917 | 0.74 | HSD17B10 (0.57) | KDM4EHSD17B10ALDH1A1CHEK1WDR5 | |
| SCHEMBL7882534 | 0.73 | POLB (0.57) | ALDH1A1POLBL3MBTL1MAPK1MAPT |
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-109734674-A | Phenyl amines WDR5 protein-protein interaction inhibitor and its preparation method and purposes | 中国药科大学 | 2019-05-10 | — | — | CN | disclosed |