Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 8/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 2/20 | 0.34 |
| ▸ | CPT1A | P50416 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787927 | 0.90 | CTSK (0.39) | CTSKKEAP1CTSLCTSBCTSS | |
| SCHEMBL4789865 | 0.87 | KEAP1 (0.51) | CTSKKEAP1CTSLCTSBCTSS | |
| SCHEMBL4788689 | 0.77 | PDE4B (0.46) | — | |
| SCHEMBL4790305 | 0.76 | USP30 (0.41) | CTSKKEAP1CTSLCTSBCTSS | |
| SCHEMBL4789901 | 0.75 | HDAC6 (0.38) | NAMPTCTSKKEAP1CTSLCTSB | |
| SCHEMBL8106184 | 0.72 | CTSK (0.68) | CTSKCTSBCTSS | |
| SCHEMBL4789293 | 0.72 | CTSK (0.68) | CTSKCTSBCTSS | |
| SCHEMBL3264278 | 0.71 | CTSK (0.48) | CTSKCTSBCTSS | |
| SCHEMBL4789696 | 0.70 | DPP8 (0.38) | CTSKKEAP1CTSLCTSBCTSS | |
| SCHEMBL4584329 | 0.70 | HRH3 (0.40) | — |
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 |