Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.78 |
| ▸ | CA1 | P00915 | 6/20 | 0.78 |
| ▸ | CA2 | P00918 | 6/20 | 0.78 |
| ▸ | CA9 | Q16790 | 6/20 | 0.78 |
| ▸ | CA6 | P23280 | 5/20 | 0.78 |
| ▸ | CA7 | P43166 | 5/20 | 0.78 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.78 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.78 |
| ▸ | CISD1 | Q9NZ45 | 4/20 | 0.78 |
| ▸ | CA5A | P35218 | 4/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.78 |
| ▸ | HTR1A | P08908 | 1/20 | 0.78 |
| ▸ | CA4 | P22748 | 1/20 | 0.78 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.78 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.78 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.78 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.78 |
| ▸ | APP | P05067 | 9/20 | 0.66 |
| ▸ | AQP1 | P29972 | 1/20 | 0.56 |
| ▸ | TEX264 | Q9Y6I9 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16380456 | 0.89 | CA12 (0.82) | CA12CA1CA2CA9CA6 | |
| SCHEMBL229073 | 0.89 | CA12 (0.85) | CA12CA1CA2CA9CA6 | |
| SCHEMBL13545222 | 0.88 | CISD1 (0.80) | CA12CA1CA2CA9CA6 | |
| Furosemide SCHEMBL428921 | 0.88 | CISD1 (1.00) | CA12CA1CA2CA9CA6 | |
| Furosemide SCHEMBL29406913 | 0.88 | CISD1 (1.00) | CA12CA1CA2CA9CA6 | |
| Furosemide SCHEMBL9811 | 0.88 | CISD1 (1.00) | CA12CA1CA2CA9CA6 | |
| SCHEMBL2880956 | 0.88 | CA12 (0.83) | CA12CA1CA2CA9CA6 | |
| SCHEMBL13001613 | 0.88 | APP (0.64) | CA12CA1CA2CA9CA6 | |
| Furosemide SCHEMBL5483691 | 0.87 | CISD1 (0.94) | CA12CA1CA2CA9CA6 | |
| SCHEMBL230392 | 0.87 | APP (0.79) | CA12CA1CA2CA9CA6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9598383-B2 | Reactive oxygen species-based prodrugs | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-21 | — | — | US | disclosed |
| US-7786119-B2 | Drug conjugates of ion channel modulating compounds | CARDIOME PHARMA CORP. (CA) | 2010-08-31 | — | — | US | disclosed |
| US-7786119-B2 | Drug conjugates of ion channel modulating compounds | CARDIOME PHARMA CORP. (CA) | 2010-08-31 | — | — | US | disclosed |