Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.46 |
| ▸ | GCGR | P47871 | 2/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30639648 | 1.00 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| SCHEMBL30639623 | 0.90 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| SCHEMBL1528572 | 0.89 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| Bromide SCHEMBL11863184 | 0.88 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| Hydrochloric Acid SCHEMBL11875073 | 0.88 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| SCHEMBL30639631 | 0.85 | MAPK14 (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9AHSD17B10 | |
| SCHEMBL28003466 | 0.83 | HPGD (0.50) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| SCHEMBL28003450 | 0.83 | CA1 (0.60) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| SCHEMBL30639604 | 0.83 | HPGD (0.50) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD | |
| SCHEMBL30639565 | 0.83 | MAPK13 (0.50) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD |
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-117045647-A | Application of 4-hydroxypyrazole compounds, derivatives and salts thereof in preparation of iron death inhibiting drugs | 浙江大学 | 2023-11-14 | — | — | CN | claimed |
| CN-117045647-A | Application of 4-hydroxypyrazole compounds, derivatives and salts thereof in preparation of iron death inhibiting drugs | 浙江大学 | 2023-11-14 | — | — | CN | disclosed |