Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 14/20 | 0.38 |
| ▸ | CASP3 | P42574 | 3/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6612945 | 0.98 | CASP1 (0.40) | CASP1CASP3ALDH1A1 | |
| SCHEMBL6610140 | 0.92 | CASP1 (0.46) | CASP1CASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL6613265 | 0.91 | CASP1 (0.37) | CASP1CASP3ALDH1A1 | |
| SCHEMBL6609604 | 0.90 | CASP1 (0.47) | CASP1CASP3 | |
| SCHEMBL6893774 | 0.90 | CASP1 (0.47) | CASP1CASP3 | |
| SCHEMBL6611949 | 0.89 | ITGB1 (0.36) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL6608614 | 0.84 | PIN1 (0.37) | CASP1CASP3 | |
| SCHEMBL6609756 | 0.83 | CASP1 (0.40) | CASP1ALDH1A1 | |
| SCHEMBL6611741 | 0.83 | CASP3 (0.48) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL6772049 | 0.83 | CASP1 (0.36) | 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 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 |