Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.56 |
| ▸ | CA1 | P00915 | 8/20 | 0.56 |
| ▸ | CA2 | P00918 | 8/20 | 0.56 |
| ▸ | CA9 | Q16790 | 8/20 | 0.56 |
| ▸ | CA4 | P22748 | 7/20 | 0.56 |
| ▸ | CA6 | P23280 | 7/20 | 0.56 |
| ▸ | CA7 | P43166 | 7/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 7/20 | 0.56 |
| ▸ | CA5A | P35218 | 5/20 | 0.56 |
| ▸ | CISD1 | Q9NZ45 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.56 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.56 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 6/20 | 0.49 |
| ▸ | CA3 | P07451 | 6/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 6/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL229073 | 0.77 | CA12 (0.85) | CA12CA1CA2CA9CA4 | |
| SCHEMBL10124068 | 0.76 | CISD1 (0.60) | CA12CA1CA2CA9CA4 | |
| SCHEMBL10108681 | 0.76 | CISD1 (0.60) | CA12CA1CA2CA9CA4 | |
| SCHEMBL14541535 | 0.75 | CA12 (0.53) | CA12CA1CA2CA9CA4 | |
| SCHEMBL14399052 | 0.74 | CISD1 (0.58) | CA12CA1CA2CA9CA4 | |
| Furosemide SCHEMBL29406913 | 0.72 | CISD1 (1.00) | CA12CA1CA2CA9CA4 | |
| Furosemide SCHEMBL428921 | 0.72 | CISD1 (1.00) | CA12CA1CA2CA9CA4 | |
| Furosemide SCHEMBL9811 | 0.72 | CISD1 (1.00) | CA12CA1CA2CA9CA4 | |
| SCHEMBL2880956 | 0.72 | CA12 (0.83) | CA12CA1CA2CA9CA4 | |
| SCHEMBL1741237 | 0.72 | CA1 (0.52) | CA12CA1CA2CA9CA4 |
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-1937242-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS | NeuroTherapeutics Pharma, Inc. (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007047698-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2007-04-26 | — | — | WO | disclosed |