Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CPT2 | P23786 | 1/20 | 0.36 |
| ▸ | CPT1A | P50416 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4789901 | 0.88 | HDAC6 (0.38) | CTSKHDAC6CTSBCTSSCTSL | |
| SCHEMBL4789865 | 0.84 | KEAP1 (0.51) | CTSKCTSBCTSSCTSLCPT2 | |
| SCHEMBL4788689 | 0.82 | PDE4B (0.46) | KMT2AMAPT | |
| SCHEMBL4573200 | 0.80 | CTSK (0.57) | CTSKCTSBCTSSCTSLCYP3A4 | |
| SCHEMBL4573939 | 0.79 | SLC6A9 (0.48) | CTSKCTSBCTSS | |
| SCHEMBL4589748 | 0.78 | CTSB (0.54) | CTSKCTSBCTSSCTSLCYP3A4 | |
| SCHEMBL4789292 | 0.76 | NAMPT (0.38) | CTSKCTSBCTSSCTSLCPT2 | |
| SCHEMBL4787927 | 0.76 | CTSK (0.39) | CTSKCTSBCTSSCTSLCPT2 | |
| SCHEMBL4790306 | 0.74 | CTSK (0.69) | CTSKCTSBCTSSCTSLCYP3A4 | |
| SCHEMBL4573950 | 0.71 | CTSS (0.45) | CTSKCTSBCTSSCTSLKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001128-A1 | 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |