Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 9/20 | 0.51 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | GNPAT | O15228 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.48 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30609958 | 1.00 | BACE1 (0.51) | BACE1BACE2MMP2OPRK1GNPAT | |
| SCHEMBL13296501 | 0.96 | BACE1 (0.54) | BACE1BACE2MMP2CTSD | |
| SCHEMBL30799335 | 0.94 | MMP2 (0.55) | BACE1MMP2OPRK1GNPATOPRM1 | |
| SCHEMBL31167399 | 0.94 | MMP2 (0.57) | MMP2OPRK1GNPAT | |
| SCHEMBL31167406 | 0.94 | MMP2 (0.57) | MMP2OPRK1GNPAT | |
| SCHEMBL30799698 | 0.93 | BACE1 (0.57) | BACE1MMP2OPRK1CTSD | |
| SCHEMBL31181273 | 0.92 | BACE1 (0.54) | BACE1BACE2OPRK1GNPATPTPN1 | |
| SCHEMBL31554972 | 0.92 | MMP2 (0.56) | BACE1MMP2OPRK1GNPATOPRM1 | |
| SCHEMBL30497073 | 0.92 | MMP2 (0.56) | BACE1MMP2OPRK1GNPATOPRM1 | |
| SCHEMBL30118074 | 0.91 | MMP2 (0.56) | BACE1BACE2MMP2OPRK1GNPAT |
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-116970040-A | Opioid multi-target-spot cyclohexapeptide molecule with amide bond ring formation, and preparation and application thereof | 兰州大学 | 2023-10-31 | — | — | CN | claimed |
| CN-116970040-A | Opioid multi-target-spot cyclohexapeptide molecule with amide bond ring formation, and preparation and application thereof | 兰州大学 | 2023-10-31 | — | — | CN | disclosed |