Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 15/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CASP9 | P55211 | 1/20 | 0.34 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7884932 | 0.90 | CYP2D6 (0.45) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL7887187 | 0.89 | CTSK (0.41) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL9961170 | 0.85 | CTSK (0.43) | CTSKCYP2D6 | |
| SCHEMBL9961219 | 0.81 | CYP2D6 (0.44) | CTSKCYP2D6 | |
| SCHEMBL18471339 | 0.80 | CTSK (0.43) | CTSKCYP2D6 | |
| SCHEMBL9961231 | 0.80 | CYP2D6 (0.46) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL18781738 | 0.79 | CTSK (0.42) | CTSKCA2 | |
| SCHEMBL9961200 | 0.78 | CTSK (0.43) | CTSKCYP2D6 | |
| SCHEMBL19015939 | 0.77 | CYP2D6 (0.35) | CTSKCYP2D6CA2 | |
| SCHEMBL9961228 | 0.76 | CTSK (0.41) | CTSKCYP2D6 |
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-2009140765-A1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | NEW WORLD LABORATORIES INC. (CA) | 2009-11-26 | — | — | WO | disclosed |