Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 6/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6610053 | 0.89 | CASP1 (0.44) | CASP1CASP3CTSKPIN1 | |
| SCHEMBL6610549 | 0.81 | CASP1 (0.49) | CASP1CASP3 | |
| SCHEMBL6609214 | 0.80 | CASP3 (0.48) | CASP1CASP3 | |
| SCHEMBL6613007 | 0.78 | C3AR1 (0.35) | CASP1CASP3CTSKNPSR1CCR1 | |
| SCHEMBL6612467 | 0.78 | CASP1 (0.47) | CASP1CASP3CTSKPIN1CCR1 | |
| SCHEMBL6769747 | 0.78 | CASP1 (0.39) | CASP1CASP3HTRA1 | |
| SCHEMBL6611122 | 0.74 | KLK5 (0.43) | CASP1CASP3 | |
| SCHEMBL6612233 | 0.74 | CASP3 (0.39) | CASP3CTSK | |
| SCHEMBL6608614 | 0.73 | PIN1 (0.37) | CASP1CASP3PIN1 | |
| SCHEMBL6612579 | 0.73 | ITGB3 (0.43) | 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 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 | disclosed |
| US-6747050-B1 | INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS | LG CHEM INVESTMENT LTD. (KR) | 2004-06-08 | — | — | US | disclosed |
| WO-2001021599-A1 | CASPASE INHIBITOR | LG CHEMICAL LTD. (KR) | 2001-03-29 | — | — | WO | disclosed |