Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 8/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6608749 | 0.91 | ALDH1A1 (0.43) | CASP1ALDH1A1PIN1CASP3P2RY12 | |
| SCHEMBL6609462 | 0.87 | CASP1 (0.43) | CASP1PIN1CASP3CTSK | |
| SCHEMBL6609604 | 0.86 | CASP1 (0.47) | CASP1CASP3 | |
| SCHEMBL6893774 | 0.86 | CASP1 (0.47) | CASP1CASP3 | |
| SCHEMBL6609756 | 0.85 | CASP1 (0.40) | CASP1ALDH1A1PIN1 | |
| SCHEMBL6610140 | 0.84 | CASP1 (0.46) | CASP1ALDH1A1CASP3 | |
| SCHEMBL6613054 | 0.83 | CASP1 (0.37) | CASP1ALDH1A1PIN1 | |
| SCHEMBL6613265 | 0.83 | CASP1 (0.37) | CASP1ALDH1A1PIN1CASP3 | |
| SCHEMBL6611741 | 0.81 | CASP3 (0.48) | CASP1CASP3 | |
| SCHEMBL6767512 | 0.80 | CASP1 (0.38) | CASP1ALDH1A1CASP3 |
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-6747050-B1 | INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS | LG CHEM INVESTMENT LTD. (KR) | 2004-06-08 | — | — | US | disclosed |