Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.52 |
| ▸ | CA2 | P00918 | 9/20 | 0.52 |
| ▸ | CA9 | Q16790 | 9/20 | 0.52 |
| ▸ | CA12 | O43570 | 8/20 | 0.52 |
| ▸ | CA6 | P23280 | 5/20 | 0.52 |
| ▸ | CA7 | P43166 | 5/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.52 |
| ▸ | CA4 | P22748 | 4/20 | 0.52 |
| ▸ | CA5A | P35218 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 5/20 | 0.41 |
| ▸ | TEX264 | Q9Y6I9 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14541535 | 0.85 | CA12 (0.53) | CA1CA2CA9CA12CA6 | |
| SCHEMBL1743054 | 0.82 | CA12 (0.50) | CA1CA2CA9CA12CA6 | |
| SCHEMBL4697409 | 0.78 | CA1 (0.46) | CA1CA2CA9CA12CA6 | |
| SCHEMBL4697411 | 0.77 | CA1 (0.45) | CA1CA2CA9CA12CA6 | |
| SCHEMBL230681 | 0.77 | CA12 (0.77) | CA1CA2CA9CA12CA6 | |
| SCHEMBL10124068 | 0.74 | CISD1 (0.60) | CA1CA2CA9CA12CA6 | |
| SCHEMBL10108681 | 0.72 | CISD1 (0.60) | CA1CA2CA9CA12CA6 | |
| SCHEMBL4944715 | 0.72 | CA12 (0.56) | CA1CA2CA9CA12CA6 | |
| SCHEMBL230534 | 0.72 | CA12 (0.82) | CA1CA2CA9CA12CA6 | |
| SCHEMBL14399052 | 0.71 | CISD1 (0.58) | CA1CA2CA9CA12CA6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2389371-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | Neurotherapeutics Pharma, Inc. (US) | 2011-11-30 | — | — | EP | 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 |