Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA6 | P23280 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10222974 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CA2LMNAHPGDKDM4E | |
| SCHEMBL11788072 | 0.86 | ALDH1A1 (0.64) | ALDH1A1CA2LMNAHPGDKDM4E | |
| SCHEMBL11370871 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CA2LMNAHPGDKDM4E | |
| SCHEMBL10224121 | 0.82 | CA2 (0.72) | ALDH1A1CA2LMNAHPGDKDM4E | |
| SCHEMBL11802821 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CA2LMNAHPGDKDM4E | |
| SCHEMBL11789242 | 0.77 | CA2 (0.71) | ALDH1A1CA2LMNAHPGDKDM4E | |
| SCHEMBL11844329 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CA2LMNAHPGDKDM4E | |
| SCHEMBL10224188 | 0.73 | CA2 (0.76) | ALDH1A1CA2LMNAHPGDKDM4E | |
| Bumetanide SCHEMBL4018308 | 0.72 | CA2 (0.67) | ALDH1A1CA2LMNAHPGDKDM4E | |
| SCHEMBL11803735 | 0.72 | CA2 (0.63) | ALDH1A1CA2LMNAHPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010085352-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2010-07-29 | — | — | WO | disclosed |