Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 19/20 | 0.60 |
| ▸ | CA2 | P00918 | 19/20 | 0.60 |
| ▸ | CA9 | Q16790 | 19/20 | 0.60 |
| ▸ | CA12 | O43570 | 13/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 13/20 | 0.60 |
| ▸ | CA4 | P22748 | 4/20 | 0.49 |
| ▸ | CA6 | P23280 | 4/20 | 0.49 |
| ▸ | CA7 | P43166 | 4/20 | 0.49 |
| ▸ | CA3 | P07451 | 3/20 | 0.49 |
| ▸ | CA5A | P35218 | 3/20 | 0.49 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529116 | 1.00 | CA1 (0.60) | CA1CA2CA9CA12CA14 | |
| SCHEMBL6529735 | 0.92 | CA1 (0.52) | CA1CA2CA9CA12CA14 | |
| SCHEMBL6529732 | 0.92 | CA1 (0.52) | CA1CA2CA9CA12CA14 | |
| SCHEMBL6530247 | 0.87 | ALDH1A1 (0.47) | CA1CA2CA9CA12CA14 | |
| SCHEMBL6530426 | 0.80 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL6530423 | 0.80 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL12084421 | 0.79 | CA1 (0.59) | CA1CA2CA9CA12CA14 | |
| SCHEMBL6529058 | 0.79 | CA1 (0.45) | CA1CA2CA9CA12CA4 | |
| SCHEMBL12084745 | 0.78 | CA1 (0.58) | CA1CA2CA9CA12CA14 | |
| SCHEMBL6517091 | 0.75 | QPCT (0.45) | ALDH1A1 |
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-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | claimed |