Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | CCKBR | P32239 | 5/20 | 0.49 |
| ▸ | CCKAR | P32238 | 4/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 8/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL26464896 | 1.00 | KEAP1 (0.53) | KEAP1PTPN1CCKBRCCKAROPRD1 | |
| SCHEMBL29311919 | 0.87 | KEAP1 (0.56) | KEAP1CCKBRCCKAROPRD1 | |
| SCHEMBL29311915 | 0.83 | KEAP1 (0.50) | KEAP1PTPN1CCKBRCCKAROPRD1 | |
| SCHEMBL29311988 | 0.83 | KEAP1 (0.50) | KEAP1PTPN1CCKBRCCKAROPRD1 | |
| SCHEMBL31031476 | 0.83 | BACE1 (0.54) | PTPN1CCKBRCCKAROPRD1BACE1 | |
| SCHEMBL30987807 | 0.82 | BACE1 (0.53) | OPRD1BACE1BACE2OPRM1OPRK1 | |
| SCHEMBL14478149 | 0.81 | APC (0.54) | KEAP1PTPN1 | |
| SCHEMBL27268466 | 0.81 | KEAP1 (0.51) | KEAP1CCKBRCCKAROPRD1OPRM1 | |
| SCHEMBL29470277 | 0.81 | BACE1 (0.55) | OPRD1BACE1BACE2OPRM1OPRK1 | |
| SCHEMBL31031528 | 0.81 | NAALAD2 (0.55) | OPRD1BACE1BACE2OPRM1OPRK1 |
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-2023069332-A1 | CELL PERMEABLE MACROCYCLIC PEPTIDES USEFUL FOR EIF4E CAP-BINDING SITE INHIBITION | MERCK SHARP & DOHME LLC (US) | 2023-04-27 | — | — | WO | disclosed |