Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.54 |
| ▸ | CASP1 | P29466 | 3/20 | 0.54 |
| ▸ | CASP9 | P55211 | 3/20 | 0.54 |
| ▸ | CASP4 | P49662 | 1/20 | 0.54 |
| ▸ | CASP5 | P51878 | 1/20 | 0.54 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.54 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.54 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 6/20 | 0.47 |
| ▸ | CTSK | P43235 | 5/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 3/20 | 0.45 |
| ▸ | REN | P00797 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL15462685 | 1.00 | CASP3 (0.54) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL20052429 | 1.00 | CASP3 (0.54) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL20052390 | 0.89 | CASP1 (0.56) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL15462629 | 0.89 | CASP1 (0.56) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL20052435 | 0.89 | CASP1 (0.56) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL20356179 | 0.88 | MEN1 (0.43) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL7887054 | 0.88 | CASP3 (0.51) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL13471019 | 0.87 | CASP3 (0.46) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL12829731 | 0.84 | CASP3 (0.48) | CASP3CASP1CASP9CASP4CASP5 | |
| SCHEMBL20356162 | 0.84 | MME (0.50) | CASP3CASP1CASP9CASP4CASP5 |
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 |
|---|---|---|---|---|---|---|---|
| US-9944674-B2 | Selective cysteine protease inhibitors and uses thereof | GENESIS TECHNOLOGIES LIMITED (BB) | 2018-04-17 | — | — | US | disclosed |