Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | AQP1 | P29972 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28790620 | 0.91 | ALDH1A1 (0.41) | APPALDH1A1CA12CA1CA2 | |
| SCHEMBL27827634 | 0.85 | ALDH1A1 (0.44) | APPALDH1A1CA12CA1CA2 | |
| SCHEMBL230407 | 0.75 | ALDH1A1 (0.55) | APPALDH1A1CA12CA1CA2 | |
| Dimethylamine SCHEMBL230218 | 0.73 | APP (0.55) | APPALDH1A1CA12CA1CA2 | |
| SCHEMBL232377 | 0.72 | ALDH1A1 (0.50) | APPALDH1A1CA12CA1CA2 | |
| SCHEMBL230294 | 0.72 | APP (0.45) | APPALDH1A1CA12CA1CA2 | |
| SCHEMBL27846293 | 0.72 | TSHR (0.38) | APPALDH1A1CA12CA1CA2 | |
| SCHEMBL4284511 | 0.70 | APP (0.51) | APPALDH1A1CA12CA1CA2 | |
| SCHEMBL230217 | 0.69 | ALDH1A1 (0.52) | APPALDH1A1CA12CA1CA2 | |
| SCHEMBL229145 | 0.69 | ALDH1A1 (0.39) | APPALDH1A1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102341380-A | Bumetanide, furosemide, piretanide, azosemide, and torsemide analogs, compositions and methods of use | NEUROTHERAPEUTICS PHARMA INC | 2012-02-01 | — | — | CN | disclosed |