Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 10/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | NPY4R | P50391 | 2/20 | 0.50 |
| ▸ | NPY1R | P25929 | 1/20 | 0.50 |
| ▸ | NPY2R | P49146 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | CPA1 | P15085 | 1/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30420544 | 1.00 | OPRD1 (0.54) | OPRD1OPRM1OPRK1NPY4RNPY1R | |
| SCHEMBL30086863 | 0.98 | OPRD1 (0.53) | OPRD1OPRM1OPRK1NPY4RNPY1R | |
| SCHEMBL31614370 | 0.95 | NPY4R (0.58) | OPRD1OPRM1OPRK1NPY4RNPY1R | |
| SCHEMBL30799508 | 0.92 | OPRD1 (0.55) | OPRD1OPRM1OPRK1NPY4RNPY1R | |
| SCHEMBL30799878 | 0.91 | OPRD1 (0.58) | OPRD1OPRM1OPRK1BACE1MME | |
| SCHEMBL29991172 | 0.90 | OPRD1 (0.54) | OPRD1OPRM1OPRK1NPY4RNPY1R | |
| SCHEMBL29822851 | 0.88 | OPRD1 (0.64) | OPRD1OPRM1OPRK1NPY4RNPY1R | |
| SCHEMBL30799540 | 0.88 | OPRD1 (0.54) | OPRD1OPRM1OPRK1CASP1BACE1 | |
| SCHEMBL29850189 | 0.87 | OPRD1 (0.55) | OPRD1OPRM1OPRK1NPY4RNPY1R | |
| SCHEMBL31482982 | 0.87 | NPY4R (0.57) | OPRD1OPRM1OPRK1NPY4RNPY1R |
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-114605522-A | MCL-1 and BCL-XL protein dual-targeting BH3 polypeptide mimics and application thereof | 中山大学 | 2022-06-10 | — | — | CN | claimed |
| CN-114605522-A | MCL-1 and BCL-XL protein dual-targeting BH3 polypeptide mimics and application thereof | 中山大学 | 2022-06-10 | — | — | CN | disclosed |