Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30241210 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL11846152 | 0.89 | HPSE (0.46) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL11846815 | 0.87 | THRB (0.44) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL14879785 | 0.85 | VCAM1 (0.51) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL11843602 | 0.84 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL573640 | 0.82 | KDM4E (0.58) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL11850832 | 0.82 | TPMT (0.45) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL30241206 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL28945970 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ELMNANPSR1 | |
| SCHEMBL11846360 | 0.81 | PKM (0.60) | ALDH1A1HPGDKDM4ELMNANPSR1 |
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 |