Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 10/20 | 0.37 |
| ▸ | CASP1 | P29466 | 4/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6772049 | 0.94 | CASP1 (0.36) | PIN1CASP1ITGB1ITGA4CASP3 | |
| SCHEMBL6611474 | 0.88 | ITGB1 (0.38) | CASP1ITGB1ITGA4CASP3 | |
| SCHEMBL6612945 | 0.86 | CASP1 (0.40) | PIN1CASP1CASP3 | |
| SCHEMBL6613265 | 0.85 | CASP1 (0.37) | PIN1CASP1CASP3 | |
| SCHEMBL6615960 | 0.85 | CASP1 (0.41) | PIN1CASP1CASP3 | |
| SCHEMBL6767512 | 0.84 | CASP1 (0.38) | CASP1CASP3 | |
| SCHEMBL6612402 | 0.84 | CASP1 (0.40) | PIN1CASP1CASP3 | |
| SCHEMBL6609462 | 0.83 | CASP1 (0.43) | PIN1CASP1CASP3 | |
| SCHEMBL6772640 | 0.82 | F10 (0.34) | CASP1 | |
| SCHEMBL6614051 | 0.81 | CTSD (0.34) | CASP1CASP3 |
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-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 |