Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13471117 | 0.86 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL15459378 | 0.81 | HCAR2 (0.41) | HCAR2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL15459308 | 0.79 | HCAR2 (0.40) | HCAR2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL19944483 | 0.76 | CTSK (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL19337882 | 0.75 | CTSK (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL30154195 | 0.75 | CTSK (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL30136143 | 0.75 | CTSK (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL19944461 | 0.75 | CYP2D6 (0.33) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL24963652 | 0.72 | CTSK (0.42) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL9741231 | 0.72 | CAPN1 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 |