Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 15/20 | 0.52 |
| ▸ | CTSV | O60911 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSH | P09668 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 4/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 4/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20827198 | 0.78 | CASP3 (0.55) | CASP3CASP6CASP8CASP7KDM4E | |
| SCHEMBL20827298 | 0.74 | CASP3 (0.44) | CASP3CASP6CASP8CASP7KDM4E | |
| SCHEMBL22307837 | 0.73 | KDM4E (0.55) | CASP3CTSVCTSLCTSBCTSH | |
| SCHEMBL25985226 | 0.70 | KDM4E (0.52) | CASP3CTSVCTSLCTSBCTSH | |
| SCHEMBL24710324 | 0.70 | CASP3 (0.41) | CASP3CTSVCTSLCTSBCTSH | |
| SCHEMBL22308314 | 0.69 | KDM4E (0.45) | CASP3CTSVCTSLCTSBCTSH | |
| SCHEMBL8980141 | 0.68 | CYP2C19 (0.50) | HTT | |
| SCHEMBL22307313 | 0.68 | MAPT (0.56) | CASP3MAPK1CASP6CASP8CASP7 | |
| SCHEMBL8980116 | 0.67 | CYP2C19 (0.53) | MAPK1KDM4EALDH1A1HTT | |
| SCHEMBL1999871 | 0.67 | CYP2C19 (0.53) | MAPK1KDM4EALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058718-A1 | 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-07-15 | — | — | WO | disclosed |