Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30410994 | 1.00 | KHK (0.44) | KHKKEAP1NFE2L2 | |
| SCHEMBL21223861 | 0.79 | KHK (0.39) | KHK | |
| SCHEMBL8237996 | 0.79 | KEAP1 (0.47) | KHKKEAP1NFE2L2 | |
| SCHEMBL443877 | 0.79 | KHK (0.35) | KHK | |
| SCHEMBL34467639 | 0.79 | KEAP1 (0.47) | KHKKEAP1NFE2L2 | |
| SCHEMBL5925804 | 0.77 | CA1 (0.31) | KHK | |
| SCHEMBL24850172 | 0.77 | KHK (0.34) | KHK | |
| SCHEMBL31453136 | 0.74 | KEAP1 (0.38) | KHKKEAP1NFE2L2 | |
| SCHEMBL23030325 | 0.74 | KHK (0.44) | KHKKEAP1NFE2L2 | |
| SCHEMBL20455590 | 0.74 | ALDH1A1 (0.34) | KHK |
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-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |