Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.43 |
| ▸ | ITGAV | P06756 | 3/20 | 0.43 |
| ▸ | CASP3 | P42574 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | CASP6 | P55212 | 2/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KYNU | Q16719 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6611710 | 0.93 | CASP1 (0.44) | ITGB3ITGAVCASP3CASP1CASP7 | |
| SCHEMBL6611122 | 0.87 | KLK5 (0.43) | ITGB3ITGAVCASP3CASP1CASP7 | |
| SCHEMBL6610182 | 0.84 | CASP1 (0.46) | ITGB3ITGAVCASP3CASP1CASP7 | |
| SCHEMBL6611990 | 0.81 | ITGB3 (0.42) | ITGB3ITGAVCASP3CASP1CASP7 | |
| SCHEMBL6613339 | 0.79 | CASP1 (0.43) | ITGB3ITGAVCASP3CASP1CASP7 | |
| SCHEMBL6610145 | 0.79 | CASP1 (0.50) | CASP3CASP1CASP6CASP8 | |
| SCHEMBL6612108 | 0.74 | ITGB3 (0.52) | ITGB3ITGAVCASP3CASP1CASP7 | |
| SCHEMBL13788325 | 0.71 | ALDH1A1 (0.60) | CASP1ATMALDH1A1ALOX15KYNU | |
| SCHEMBL21678984 | 0.70 | HTT (0.47) | CASP1ALDH1A1ALOX15CYP3A4 | |
| SCHEMBL9937088 | 0.70 | TRPM8 (0.55) | CASP1CAPN1ATMALDH1A1ALOX15 |
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 10 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 |
| US-6747050-B1 | INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS | LG CHEM INVESTMENT LTD. (KR) | 2004-06-08 | — | — | US | claimed |
| EP-1212309-A4 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2002-11-27 | — | — | EP | claimed |
| EP-1212309-A1 | CASPASE INHIBITOR | LG Chem Investment, Ltd. (KR) | 2002-06-12 | — | — | EP | claimed |
| WO-2001021600-A1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD. (KR) | 2001-03-29 | — | — | WO | 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 |
| EP-1212309-A4 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2002-11-27 | — | — | EP | disclosed |
| EP-1212309-A1 | CASPASE INHIBITOR | LG Chem Investment, Ltd. (KR) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001021600-A1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD. (KR) | 2001-03-29 | — | — | WO | disclosed |