Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 7/20 | 0.56 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.56 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | GAA | P10253 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | APEX1 | P27695 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | MPI | P34949 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | CASP6 | P55212 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.49 |
| ▸ | BLM | P54132 | 3/20 | 0.49 |
| ▸ | G6PD | P11413 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | NSD2 | O96028 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2319124 | 1.00 | POLB (0.56) | POLBEIF4HAMY1AKDM4EGAA | |
| SCHEMBL2316674 | 0.80 | POLB (0.69) | POLBKDM4EGAAMAPTALDH1A1 | |
| SCHEMBL6073351 | 0.79 | POLB (0.53) | POLBEIF4HAMY1AKDM4EGAA | |
| SCHEMBL6073350 | 0.79 | POLB (0.53) | POLBEIF4HAMY1AKDM4EGAA | |
| SCHEMBL11111555 | 0.72 | MAOB (0.38) | POLBEIF4HGAAMAPTL3MBTL1 | |
| SCHEMBL2649889 | 0.72 | IDO1 (0.52) | MEN1KMT2A | |
| SCHEMBL11111572 | 0.72 | MAOB (0.38) | POLBEIF4HGAAMAPTL3MBTL1 | |
| SCHEMBL11410155 | 0.72 | MAOB (0.59) | POLBEIF4HAMY1AKDM4EGAA | |
| SCHEMBL6073220 | 0.72 | SRC (0.52) | POLBEIF4HAMY1AKDM4EGAA | |
| SCHEMBL11410159 | 0.72 | MAOB (0.59) | POLBEIF4HAMY1AKDM4EGAA |
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-111410618-A | Compound with hexokinase 2 inhibitory activity and application | 武汉华杰世纪生物医药有限公司 | 2020-07-14 | — | — | CN | disclosed |