Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 2/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | LTK | P29376 | 1/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.47 |
| ▸ | CLK2 | P49760 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | GRN | P28799 | 5/20 | 0.45 |
| ▸ | SORT1 | Q99523 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26976513 | 0.86 | GRN (0.58) | CDK8AURKACSF1RRETLTK | |
| SCHEMBL26976579 | 0.79 | KMT2A (0.40) | GRNSORT1KDM4EMAPK13MAPK12 | |
| SCHEMBL352072 | 0.75 | GRN (0.71) | CDK8AURKACSF1RRETLTK | |
| SCHEMBL22505755 | 0.75 | KDM4E (0.44) | GRNSORT1KDM4EMAPK13MAPK12 | |
| SCHEMBL15472828 | 0.73 | CDK8 (0.51) | CDK8AURKACSF1RRETLTK | |
| SCHEMBL15069885 | 0.73 | MAPK13 (0.40) | GRNSORT1KDM4EMAPK13MAPK12 | |
| SCHEMBL12847478 | 0.73 | MAPK13 (0.40) | CDK8AURKACSF1RRETLTK | |
| SCHEMBL20489182 | 0.73 | BRD4 (0.45) | — | |
| SCHEMBL29058262 | 0.73 | AURKA (0.36) | AURKAMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL26976556 | 0.73 | GRN (0.54) | CDK8AURKACSF1RRETLTK |
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-116589425-A | Cathepsin L inhibitors | 百放英库医药科技(北京)有限公司 | 2023-08-15 | — | — | CN | disclosed |