Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 14/20 | 0.44 |
| ▸ | CASP6 | P55212 | 13/20 | 0.44 |
| ▸ | CASP8 | Q14790 | 13/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6611474 | 0.93 | ITGB1 (0.38) | CASP3CASP6CASP8ITGB1ITGA4 | |
| SCHEMBL6609107 | 0.92 | CASP3 (0.42) | CASP3CASP6CASP8ITGB1ITGA4 | |
| SCHEMBL6615422 | 0.91 | CASP3 (0.43) | CASP3CASP6CASP8ITGB1ITGA4 | |
| SCHEMBL6611129 | 0.90 | CASP3 (0.43) | CASP3CASP6CASP8ITGB1ITGA4 | |
| SCHEMBL6609273 | 0.89 | CASP3 (0.44) | CASP3CASP6CASP8ITGB1ITGA4 | |
| SCHEMBL6608460 | 0.89 | CASP3 (0.44) | CASP3CASP6CASP8ITGB1ITGA4 | |
| SCHEMBL6611925 | 0.89 | CASP3 (0.48) | CASP3CASP6CASP8ITGB1ITGA4 | |
| SCHEMBL6615345 | 0.88 | CASP3 (0.43) | CASP3CASP6CASP8CTNNB1 | |
| SCHEMBL6611761 | 0.87 | CASP3 (0.47) | CASP3CASP6CASP8ITGB1ITGA4 | |
| SCHEMBL6613452 | 0.87 | CASP3 (0.45) | CASP3CASP6CASP8ITGB1ITGA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1212309-B1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2004-08-18 | — | — | EP | claimed |
| EP-1212309-B1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2004-08-18 | — | — | EP | disclosed |
| US-6747050-B1 | INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS | LG CHEM INVESTMENT LTD. (KR) | 2004-06-08 | — | — | US | disclosed |