Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 7/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | HTR2B | P41595 | 3/20 | 0.41 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
| ▸ | SCN1A | P35498 | 2/20 | 0.41 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6612201 | 0.85 | SYK (0.49) | CASP1SYKKLK5KLK7 | |
| SCHEMBL15095154 | 0.81 | SYK (0.58) | CASP1SYKKLK5 | |
| SCHEMBL7404713 | 0.81 | SYK (0.53) | CASP1SYKKLK5 | |
| SCHEMBL87318 | 0.81 | SYK (0.58) | CASP1SYKKLK5 | |
| SCHEMBL79132 | 0.80 | SYK (0.44) | SYKKLK5KLK7 | |
| SCHEMBL3213032 | 0.80 | SYK (0.44) | SYKKLK5KLK7 | |
| SCHEMBL79910 | 0.80 | SYK (0.44) | SYKKLK5KLK7 | |
| SCHEMBL7399633 | 0.79 | SYK (0.47) | SYKKLK5KLK7 | |
| SCHEMBL27885868 | 0.79 | SYK (0.55) | SYKKLK5 | |
| SCHEMBL27658167 | 0.79 | SYK (0.55) | SYKKLK5 |
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 5 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 |
| 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 |