Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 17/20 | 0.82 |
| ▸ | PDE6C | P51160 | 2/20 | 0.82 |
| ▸ | HDAC6 | Q9UBN7 | 11/20 | 0.71 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.71 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.71 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.69 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | PDE1A | P54750 | 1/20 | 0.68 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.68 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL25013451 | 1.00 | PDE5A (0.82) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL26766367 | 0.93 | PDE5A (0.85) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL7961638 | 0.92 | PDE5A (0.83) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL7960838 | 0.90 | PDE5A (0.86) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL7961020 | 0.90 | PDE5A (1.00) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL18714952 | 0.89 | PDE5A (0.85) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL15996104 | 0.89 | PDE5A (0.83) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL16003752 | 0.88 | PDE5A (0.87) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL28416607 | 0.87 | PDE5A (0.78) | PDE5APDE6CHDAC6HDAC1HDAC2 | |
| SCHEMBL28416609 | 0.87 | PDE5A (0.78) | PDE5APDE6CHDAC6HDAC1HDAC2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117890459-B | Quick screening method for illegally adding chemical drugs into foods based on MSRIT-MS/MS | 南京市食品药品监督检验院 | 2024-10-18 | — | — | CN | disclosed |