Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | CASP9 | P55211 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NMBR | P28336 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 7/20 | 0.47 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | APC | P25054 | 3/20 | 0.47 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7886705 | 0.83 | CASP3 (0.51) | CASP1CASP3CASP9SMN1; SMN2SIRT5 | |
| SCHEMBL9961759 | 0.81 | CASP3 (0.66) | CASP1CASP3CASP9CTSL | |
| SCHEMBL10982059 | 0.81 | CTSL (0.50) | CTSLTGM2CTSBCTSSCTSK | |
| SCHEMBL1661198 | 0.81 | CTSL (0.57) | CTSLTGM2CTSBCTSSCTSK | |
| SCHEMBL1661020 | 0.81 | CTSL (0.53) | CASP1CASP3CASP9CTSLTGM2 | |
| SCHEMBL13589992 | 0.80 | ECE1 (0.63) | CASP1CASP3CASP9CTSL | |
| SCHEMBL6552944 | 0.80 | ECE1 (0.63) | CASP1CASP3CASP9CTSL | |
| SCHEMBL6552949 | 0.80 | ECE1 (0.63) | CASP1CASP3CASP9CTSL | |
| SCHEMBL14433746 | 0.80 | ECE1 (0.63) | CASP1CASP3CASP9CTSL | |
| SCHEMBL13884433 | 0.80 | ECE1 (0.63) | CASP1CASP3CASP9CTSL |
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 |