Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 14/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13471107 | 1.00 | CYP2D6 (0.43) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19944668 | 0.88 | CTSK (0.43) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL19944461 | 0.87 | CYP2D6 (0.33) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20349139 | 0.80 | CYP2D6 (0.35) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL15459310 | 0.79 | HDAC3 (0.34) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL9961219 | 0.78 | CYP2D6 (0.44) | CYP2D6CTSK | |
| SCHEMBL9961170 | 0.78 | CTSK (0.43) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9961200 | 0.78 | CTSK (0.43) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13471117 | 0.76 | CYP2D6 (0.45) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7884932 | 0.76 | CYP2D6 (0.45) | 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-2697246-B1 | SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF | GENESIS TECH LIMITED (BB) | 2018-03-07 | — | — | EP | disclosed |