Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 13/20 | 0.55 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.49 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.48 |
| ▸ | TCF7 | P36402 | 1/20 | 0.48 |
| ▸ | CCNC | P24863 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | PASK | Q96RG2 | 1/20 | 0.47 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 3/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30006720 | 0.89 | PDE1C (0.48) | CACNA1HCCNCCDK8MPOMET | |
| SCHEMBL17316492 | 0.86 | KDM4E (0.55) | CACNA1HCACNA1GCACNA1ICTNNB1TCF7 | |
| SCHEMBL29430357 | 0.86 | KDM4E (0.55) | CACNA1HCACNA1GCACNA1ICTNNB1TCF7 | |
| SCHEMBL5435740 | 0.82 | CACNA1H (0.50) | CACNA1HCACNA1GCACNA1ICTNNB1TCF7 | |
| SCHEMBL22311425 | 0.82 | CACNA1H (0.58) | CACNA1HCACNA1GCACNA1ICCNCHTR2A | |
| SCHEMBL16406916 | 0.82 | CTNNB1 (0.46) | CACNA1HCACNA1GCACNA1ICTNNB1TCF7 | |
| SCHEMBL17316718 | 0.79 | CACNA1H (0.50) | CACNA1HCACNA1GCACNA1ICTNNB1TCF7 | |
| SCHEMBL1665815 | 0.79 | CTNNB1 (0.54) | CACNA1HCACNA1GCACNA1ICTNNB1TCF7 | |
| SCHEMBL904751 | 0.79 | CTNNB1 (0.54) | CACNA1HCACNA1GCACNA1ICTNNB1TCF7 | |
| SCHEMBL29728749 | 0.79 | CTNNB1 (0.54) | CACNA1HCACNA1GCACNA1ICTNNB1TCF7 |
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 |