Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
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 | 0.87 | CYP2D6 (0.43) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL19944871 | 0.87 | CYP2D6 (0.43) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL20349139 | 0.82 | CYP2D6 (0.35) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL15459310 | 0.81 | HDAC3 (0.34) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL19944668 | 0.77 | CTSK (0.43) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL19944502 | 0.75 | HCAR2 (0.38) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL19015939 | 0.75 | CYP2D6 (0.35) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28599928 | 0.66 | MEN1 (0.41) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL31299667 | 0.66 | GAA (0.43) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL3314248 | 0.66 | HDAC3 (0.42) | CYP2D6CYP1A2CYP2C9CYP2C19HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9944674-B2 | Selective cysteine protease inhibitors and uses thereof | GENESIS TECHNOLOGIES LIMITED (BB) | 2018-04-17 | — | — | US | disclosed |
| EP-2697246-B1 | SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF | GENESIS TECH LIMITED (BB) | 2018-03-07 | — | — | EP | disclosed |