Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.54 |
| ▸ | CASP1 | P29466 | 7/20 | 0.53 |
| ▸ | CASP7 | P55210 | 2/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | KLK7 | P49862 | 1/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 3/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | ECE1 | P42892 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7887042 | 0.92 | CASP3 (0.62) | CASP3CASP1CASP7CTSLCTSS | |
| SCHEMBL7888466 | 0.91 | CASP3 (0.52) | CASP3CASP1CASP7MMP8SYK | |
| SCHEMBL19015914 | 0.91 | CASP3 (0.52) | CASP3CASP1CASP7MMP8SYK | |
| SCHEMBL18471655 | 0.86 | CASP3 (0.64) | CASP3CASP1CASP7MMP8KLK7 | |
| SCHEMBL7886899 | 0.86 | CASP3 (0.64) | CASP3CASP1CASP7MMP8KLK7 | |
| SCHEMBL19015792 | 0.86 | CASP3 (0.64) | CASP3CASP1CASP7MMP8KLK7 | |
| SCHEMBL9961936 | 0.86 | CASP3 (0.64) | CASP3CASP1CASP7MMP8KLK7 | |
| SCHEMBL18782310 | 0.85 | CASP3 (0.69) | CASP3CASP1CASP7 | |
| SCHEMBL19015925 | 0.84 | CASP3 (0.53) | CASP3CASP1CASP7MMP8SYK | |
| SCHEMBL7890373 | 0.84 | CASP3 (0.59) | CASP3CASP1CASP7CTSLCTSS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010133000-A1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | NEW WORLD LABORATORIES INC. (CA) | 2010-11-25 | — | — | WO | disclosed |