Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 5/20 | 0.47 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25398197 | 0.81 | CCR1 (0.38) | CASP1P2RY12CASP3CNR2CCR1 | |
| SCHEMBL25398203 | 0.81 | CCR1 (0.38) | CASP1P2RY12CASP3CNR2CCR1 | |
| SCHEMBL6610053 | 0.79 | CASP1 (0.44) | CASP1CASP3CTSKPIN1 | |
| SCHEMBL25400119 | 0.79 | P2RY12 (0.51) | P2RY12ALDH1A1CNR2NPC1RAB9A | |
| SCHEMBL6610549 | 0.78 | CASP1 (0.49) | CASP1CASP3 | |
| SCHEMBL25398902 | 0.77 | PSMB5 (0.41) | ALDH1A1 | |
| SCHEMBL25398898 | 0.77 | PSMB5 (0.41) | ALDH1A1 | |
| SCHEMBL25396319 | 0.75 | NR1D1 (0.45) | — | |
| SCHEMBL25401872 | 0.75 | ITGB1 (0.40) | ALDH1A1CTSKNPC1RAB9A | |
| SCHEMBL25401877 | 0.75 | ITGB1 (0.40) | ALDH1A1CTSKNPC1RAB9A |
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 |