Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 18/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19015936 | 0.94 | CTSK (0.40) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL19015873 | 0.81 | CTSK (0.39) | CYP2D6CTSK | |
| SCHEMBL19015903 | 0.81 | CYP2D6 (0.34) | CYP2D6CTSK | |
| SCHEMBL7884932 | 0.80 | CYP2D6 (0.45) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL9961219 | 0.79 | CYP2D6 (0.44) | CYP2D6CTSK | |
| SCHEMBL8364667 | 0.78 | CYP2D6 (0.46) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL9961231 | 0.78 | CYP2D6 (0.46) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL19015924 | 0.78 | HDAC3 (0.35) | CYP2D6 | |
| SCHEMBL19944871 | 0.75 | CYP2D6 (0.43) | CYP2D6CTSK | |
| SCHEMBL13471107 | 0.75 | CYP2D6 (0.43) | CYP2D6CTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2288615-B1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | GENESIS TECH LTD (BB) | 2017-06-21 | — | — | EP | disclosed |