Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | 0.86 | CYP2D6 (0.45) | CYP2D6CTSKCA12CA2CA14 | |
| SCHEMBL7887187 | 0.80 | CTSK (0.41) | CYP2D6CTSKCA12CA2CA14 | |
| SCHEMBL18782006 | 0.79 | CYP2D6 (0.36) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL19015739 | 0.79 | HDAC3 (0.35) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9961099 | 0.79 | HDAC3 (0.35) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9961219 | 0.77 | CYP2D6 (0.44) | CYP2D6CTSK | |
| SCHEMBL9961170 | 0.77 | CTSK (0.43) | CYP2D6CTSK | |
| SCHEMBL7959731 | 0.77 | CTSK (0.41) | CYP2D6CTSKCA2 | |
| SCHEMBL18471339 | 0.76 | CTSK (0.43) | CYP2D6CTSK | |
| SCHEMBL19944461 | 0.75 | CYP2D6 (0.33) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 |