Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6613956 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6613471 | 0.88 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6610947 | 0.88 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6615946 | 0.85 | CASP3 (0.46) | CASP1CASP3CASP8CASP6NOS2 | |
| SCHEMBL6612306 | 0.85 | CASP3 (0.46) | CASP1CASP3CASP8CASP6NOS2 | |
| SCHEMBL6770908 | 0.85 | CASP1 (0.36) | ALDH1A1CASP1CASP3CASP7CASP8 | |
| SCHEMBL6770915 | 0.85 | CASP3 (0.38) | CASP1KMT2ACASP3CASP7CASP8 | |
| SCHEMBL6611086 | 0.82 | CASP1 (0.34) | ALDH1A1CASP1KMT2ACASP3CASP7 | |
| SCHEMBL6613465 | 0.82 | NOS2 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6612402 | 0.81 | CASP1 (0.40) | 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 7 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-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 |