Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 3/20 | 0.37 |
| ▸ | AQP1 | P29972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30241206 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| SCHEMBL11849419 | 0.88 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| SCHEMBL11847444 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| SCHEMBL11847715 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| SCHEMBL574020 | 0.82 | HSD17B10 (0.64) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| SCHEMBL28945995 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| SCHEMBL30241210 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| Hydrochloric Acid SCHEMBL4751053 | 0.81 | HSD17B10 (0.62) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| SCHEMBL11852517 | 0.80 | LMNA (0.47) | ALDH1A1KDM4EHPGDLMNAUSP2 | |
| SCHEMBL11844827 | 0.80 | LMNA (0.45) | ALDH1A1KDM4EHPGDLMNAUSP2 |
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-115677544-A | Preparation method of bumetanide | 中科苏州药物研究院 | 2023-02-03 | — | — | CN | claimed |
| CN-115677544-A | Preparation method of bumetanide | 中科苏州药物研究院 | 2023-02-03 | — | — | CN | disclosed |