Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.65 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.65 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28678701 | 0.92 | CYP2C9 (0.55) | CYP2C9PTGER2PTGDRPTGDR2 | |
| SCHEMBL28672524 | 0.90 | PTGDR2 (0.65) | CYP2C9PTGDR2HDAC1HDAC10HDAC8 | |
| SCHEMBL28689649 | 0.88 | CYP2C9 (0.65) | CYP2C9PTGER2PTGDRPTGDR2 | |
| SCHEMBL28665679 | 0.88 | PTGDR2 (0.55) | CYP2C9PTGDR2HDAC1HDAC10HDAC8 | |
| SCHEMBL28665682 | 0.87 | PTGDR2 (0.55) | CYP2C9PTGDR2 | |
| SCHEMBL28661805 | 0.87 | HDAC6 (0.73) | HDAC1HDAC10HDAC8HDAC6 | |
| SCHEMBL28689655 | 0.85 | PTGDR2 (0.55) | CYP2C9PTGDR2HDAC1HDAC10HDAC8 | |
| SCHEMBL28688093 | 0.84 | PTGDR2 (0.54) | CYP2C9PTGDR2 | |
| SCHEMBL28683412 | 0.84 | F10 (0.53) | CYP2C9PTGDR2HDAC1HDAC10HDAC8 | |
| SCHEMBL28689645 | 0.83 | PTGDR2 (0.52) | CYP2C9PTGDR2 |
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-113845522-A | Aminopeptidase N inhibitor and preparation method and application thereof | 山东省药学科学院 | 2021-12-28 | — | — | CN | claimed |
| CN-113845522-A | Aminopeptidase N inhibitor and preparation method and application thereof | 山东省药学科学院 | 2021-12-28 | — | — | CN | disclosed |