Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.71 |
| ▸ | GAA | P10253 | 5/20 | 0.71 |
| ▸ | STS | P08842 | 2/20 | 0.69 |
| ▸ | CA2 | P00918 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.61 |
| ▸ | HPGD | P15428 | 4/20 | 0.61 |
| ▸ | ALPL | P05186 | 3/20 | 0.59 |
| ▸ | ALPI | P09923 | 3/20 | 0.59 |
| ▸ | GLA | P06280 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10850187 | 0.83 | KDM4E (1.00) | ALDH1A1KDM4EGAASTSCA2 | |
| SCHEMBL30139608 | 0.82 | ALDH1A1 (0.76) | ALDH1A1KDM4EGAASTSCA2 | |
| SCHEMBL38662608 | 0.82 | ALDH1A1 (0.76) | ALDH1A1KDM4EGAASTSCA2 | |
| SCHEMBL25184 | 0.82 | ALDH1A1 (0.76) | ALDH1A1KDM4EGAASTSCA2 | |
| SCHEMBL9451464 | 0.82 | STS (1.00) | ALDH1A1KDM4EGAASTSCA2 | |
| Potassium Ion SCHEMBL380405 | 0.81 | KDM4E (0.74) | ALDH1A1KDM4EGAASTSCA2 | |
| SCHEMBL3761326 | 0.81 | ALDH1A1 (0.74) | ALDH1A1KDM4EGAASTSCA2 | |
| SCHEMBL3761324 | 0.81 | KDM4E (0.74) | ALDH1A1KDM4EGAASTSCA2 | |
| SCHEMBL1358798 | 0.80 | KDM4E (0.72) | ALDH1A1KDM4EGAASTSCA2 | |
| SCHEMBL10850733 | 0.77 | MAOB (0.70) | ALDH1A1KDM4EGAASTSCA2 |
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-118724857-A | Biochemical reagent for detecting mercapto of biological medicine and preparation method thereof | 中国医学科学院药物研究所 | 2024-10-01 | — | — | CN | disclosed |