Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 19/20 | 0.74 |
| ▸ | CA2 | P00918 | 19/20 | 0.74 |
| ▸ | CA12 | O43570 | 13/20 | 0.74 |
| ▸ | CA9 | Q16790 | 13/20 | 0.74 |
| ▸ | CA4 | P22748 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12875799 | 0.89 | CA1 (0.78) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12875128 | 0.89 | CA1 (0.78) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12875216 | 0.86 | CA1 (0.78) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12875317 | 0.86 | CA1 (1.00) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12875495 | 0.85 | CA1 (0.73) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12875460 | 0.85 | CA1 (0.71) | CA1CA2CA12CA9CA4 | |
| SCHEMBL2280730 | 0.83 | CA1 (0.65) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12875125 | 0.82 | CA1 (0.79) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12875774 | 0.81 | CA1 (0.69) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12875490 | 0.81 | CA1 (1.00) | CA1CA2CA12CA9CA4 |
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-2011019612-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS | ANACOR PHARMACEUTICALS, INC. (US) | 2011-02-17 | — | — | WO | disclosed |