Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 14/20 | 0.37 |
| ▸ | PSMB2 | P49721 | 13/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 4/20 | 0.37 |
| ▸ | PSMB10 | P40306 | 4/20 | 0.37 |
| ▸ | PSMB1 | P20618 | 4/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.36 |
| ▸ | TPH1 | P17752 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14270308 | 0.88 | CA2 (0.46) | — | |
| SCHEMBL16092972 | 0.88 | CA2 (0.46) | — | |
| SCHEMBL16092976 | 0.87 | ALDH1A1 (0.45) | EPHX1 | |
| SCHEMBL16788844 | 0.87 | ALDH1A1 (0.45) | EPHX1 | |
| SCHEMBL30151353 | 0.86 | NOS3 (0.39) | EPHX1PSMB5PSMB2PSMB8PSMB10 | |
| SCHEMBL16788856 | 0.83 | PSMB2 (0.35) | PSMB5PSMB2PSMB8PSMB10PSMB1 | |
| SCHEMBL24534511 | 0.77 | SLC7A5 (0.50) | SLC7A5 | |
| SCHEMBL26243594 | 0.77 | SLC7A5 (0.50) | SLC7A5 | |
| SCHEMBL24534512 | 0.77 | SLC7A5 (0.50) | SLC7A5 | |
| SCHEMBL13853189 | 0.76 | CYP1A2 (0.50) | PSMB5PSMB2PSMB8PSMB10PSMB1 |
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-115215837-A | Fused ring p-benzoquinone dimer derivative containing triazole ring and preparation method and application thereof | 山东大学 | 2022-10-21 | — | — | CN | claimed |
| CN-115215837-A | Fused ring p-benzoquinone dimer derivative containing triazole ring and preparation method and application thereof | 山东大学 | 2022-10-21 | — | — | CN | disclosed |