Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.76 |
| ▸ | USP2 | O75604 | 1/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | HPGD | P15428 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | BLM | P54132 | 1/20 | 0.76 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.76 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.76 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.76 |
| ▸ | AQP1 | P29972 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 16/20 | 0.63 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10224121 | 0.92 | CA2 (0.72) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL2881158 | 0.90 | KDM4E (0.79) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL231512 | 0.90 | KDM4E (0.82) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL18993713 | 0.89 | KDM4E (0.81) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL231524 | 0.89 | KDM4E (0.81) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL2874418 | 0.88 | KDM4E (0.79) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL231977 | 0.88 | KDM4E (0.79) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL29436057 | 0.87 | KDM4E (0.78) | CA2KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL29436029 | 0.87 | KDM4E (0.78) | CA2KDM4EUSP2ALDH1A1LMNA | |
| Bumetanide SCHEMBL4425232 | 0.87 | KDM4E (1.00) | CA2KDM4EUSP2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012018635-A2 | ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2010085352-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2010-07-29 | — | — | WO | disclosed |