Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | PRTN3 | P24158 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6610648 | 0.89 | ELANE (0.41) | ATMCAPN1CASP1CASP3CASP7 | |
| SCHEMBL6611623 | 0.89 | TSHR (0.40) | ATMCTSKCTSSHSD17B10 | |
| SCHEMBL6609360 | 0.86 | ALDH1A1 (0.39) | CTSLCTSBCTSKCTSS | |
| SCHEMBL6610307 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL25400250 | 0.80 | TSHR (0.40) | ATMCTSLCTSBCTSKCTSS | |
| SCHEMBL25400249 | 0.80 | TSHR (0.40) | ATMCTSLCTSBCTSKCTSS | |
| SCHEMBL6612146 | 0.79 | PKM (0.43) | CASP1HSD17B10 | |
| SCHEMBL6772066 | 0.78 | KLK5 (0.40) | ATMCAPN1CASP1CASP3CASP7 | |
| SCHEMBL6610963 | 0.78 | HSD17B10 (0.39) | ATMCAPN1CTSLCTSSHSD17B10 | |
| SCHEMBL6770958 | 0.77 | MMP1 (0.37) | CASP1 |
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 |