Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 13/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | CCKAR | P32238 | 3/20 | 0.36 |
| ▸ | CCKBR | P32239 | 3/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31410681 | 0.85 | BACE1 (0.44) | OPRD1OPRM1OPRK1BACE1CTSD | |
| SCHEMBL30165201 | 0.85 | ENPEP (0.43) | BACE1CTSD | |
| SCHEMBL30422914 | 0.84 | ITGB3 (0.39) | OPRD1KEAP1CTSD | |
| SCHEMBL29808352 | 0.83 | BACE1 (0.47) | OPRD1OPRM1OPRK1BACE1CTSD | |
| SCHEMBL30880120 | 0.82 | OPRD1 (0.46) | OPRD1OPRM1OPRK1BACE1 | |
| SCHEMBL31410666 | 0.82 | OPRD1 (0.42) | OPRD1OPRM1OPRK1BACE1CCKAR | |
| SCHEMBL31461923 | 0.81 | OPRD1 (0.44) | OPRD1OPRM1OPRK1 | |
| SCHEMBL31410686 | 0.81 | KEAP1 (0.41) | KEAP1 | |
| SCHEMBL29421862 | 0.80 | NPSR1 (0.39) | — | |
| SCHEMBL30567436 | 0.78 | BACE1 (0.38) | BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119462820-A | Carboline hexahydropyrazine-1, 4-diketone-3-acetyl-Gly-Gly as well as preparation and application thereof | 首都医科大学 | 2025-02-18 | — | — | CN | disclosed |
| CN-119390755-A | Carboline hexahydropyrazine-1, 4-diketone-3-acetyl-Val-Val, preparation and application thereof | 首都医科大学 | 2025-02-07 | — | — | CN | disclosed |