Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 14/20 | 0.39 |
| ▸ | CASP6 | P55212 | 13/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 13/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL6611152 | 0.92 | CASP3 (0.47) | CASP3CASP6CASP8ALDH1A1CTSK | |
| SCHEMBL6613007 | 0.86 | C3AR1 (0.35) | CASP3ALDH1A1CTSKCTSLCTSB | |
| SCHEMBL6613339 | 0.84 | CASP1 (0.43) | CASP3CASP6CASP8 | |
| SCHEMBL6615298 | 0.83 | CASP3 (0.37) | CASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL6610078 | 0.82 | CASP3 (0.35) | CASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL6613047 | 0.78 | CASP1 (0.39) | CASP3CASP6CASP8CTSKCTSL | |
| SCHEMBL6610158 | 0.77 | KDM4C (0.39) | ALDH1A1CTSKCTSLCTSBCTSS | |
| SCHEMBL6610145 | 0.76 | CASP1 (0.50) | CASP3CASP6CASP8 | |
| SCHEMBL6609273 | 0.74 | CASP3 (0.44) | CASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL6610840 | 0.74 | CASP1 (0.41) | CASP3CTSK |
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 |