Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1C | Q14123 | 1/20 | 0.48 |
| ▸ | CACNA1H | O95180 | 10/20 | 0.47 |
| ▸ | CCNC | P24863 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | MST1R | Q04912 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.43 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL30006677 | 0.89 | CACNA1H (0.55) | CACNA1HCCNCCDK8METMPO | |
| SCHEMBL17316406 | 0.86 | KDM4E (0.53) | CACNA1HCCNCCDK8KDM2BKDM4C | |
| SCHEMBL17316500 | 0.79 | CACNA1H (0.46) | PDE1CCACNA1HCCNCCDK8MPO | |
| SCHEMBL29585470 | 0.78 | MPO (0.49) | PDE1CCACNA1HCCNCCDK8MPO | |
| SCHEMBL904805 | 0.78 | MPO (0.49) | PDE1CCACNA1HCCNCCDK8MPO | |
| SCHEMBL14800197 | 0.78 | NOTUM (0.52) | PDE1CCACNA1HCCNCCDK8MPO | |
| SCHEMBL30903411 | 0.78 | NOTUM (0.52) | PDE1CCACNA1HCCNCCDK8MPO | |
| SCHEMBL19691125 | 0.78 | AR (0.55) | PDE1CCCNCCDK8ERCC1ERCC4 | |
| SCHEMBL29503149 | 0.78 | AR (0.55) | PDE1CCCNCCDK8ERCC1ERCC4 | |
| SCHEMBL8172855 | 0.76 | MPO (0.47) | PDE1CCACNA1HCCNCCDK8MPO |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4337642-A1 | ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION | Universite Euro-Mediterraneenne de Fes (MA) | 2024-03-20 | — | — | EP | disclosed |
| WO-2022240277-A1 | ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION | UNIVERSITE EURO-MEDITERRANEENNE DE FES (MA) | 2022-11-17 | — | — | WO | disclosed |