Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | MPO | P05164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30525576 | 1.00 | P2RX7 (0.46) | P2RX7ALDH1A1MAPTGAATDP1 | |
| SCHEMBL29049509 | 0.84 | HPGDS (0.48) | P2RX7ALDH1A1MAPTGAATDP1 | |
| SCHEMBL30525571 | 0.84 | HPGDS (0.48) | P2RX7ALDH1A1MAPTGAATDP1 | |
| SCHEMBL29049504 | 0.80 | NAPRT (0.43) | ALDH1A1MAPTTDP1MEN1KMT2A | |
| SCHEMBL30525578 | 0.80 | NAPRT (0.43) | ALDH1A1MAPTTDP1MEN1KMT2A | |
| SCHEMBL30525586 | 0.79 | HDAC1 (0.41) | P2RX7KDM4EMPOCYP3A4ADORA3 | |
| SCHEMBL29049475 | 0.79 | HDAC1 (0.41) | P2RX7KDM4EMPOCYP3A4ADORA3 | |
| SCHEMBL30525574 | 0.79 | P2RX7 (0.47) | P2RX7ALDH1A1MAPTGAATDP1 | |
| SCHEMBL29049463 | 0.79 | P2RX7 (0.47) | P2RX7ALDH1A1MAPTGAATDP1 | |
| SCHEMBL29049503 | 0.75 | HDAC3 (0.36) | P2RX7ALDH1A1MAPTGAATDP1 |
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-116514769-B | 4-hydroxy pyrimidine-5-formylhydrazone derivative, preparation method, pharmaceutical composition and application | 中国药科大学 | 2024-02-27 | — | — | CN | disclosed |
| CN-116514769-A | 4-hydroxy pyrimidine-5-formylhydrazone derivative, preparation method, pharmaceutical composition and application | 中国药科大学 | 2023-08-01 | — | — | CN | disclosed |