Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.47 |
| ▸ | CA2 | P00918 | 10/20 | 0.47 |
| ▸ | CA9 | Q16790 | 9/20 | 0.47 |
| ▸ | CA4 | P22748 | 8/20 | 0.47 |
| ▸ | CA7 | P43166 | 8/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12656417 | 0.82 | CA1 (0.48) | CA1CA2CA9CA4CA7 | |
| SCHEMBL12656272 | 0.80 | CA1 (0.48) | CA1CA2CA9CA4CA7 | |
| SCHEMBL596472 | 0.77 | PDE4A (0.58) | CA1CA2CA9CA4CA7 | |
| SCHEMBL5583215 | 0.77 | PDE4A (0.58) | CA1CA2CA9CA4CA7 | |
| SCHEMBL2404339 | 0.71 | CA1 (0.63) | CA1CA2CA9CA4PDE4A | |
| SCHEMBL595797 | 0.70 | CA1 (0.50) | CA1CA2CA9CA4CA7 | |
| SCHEMBL595739 | 0.70 | CA1 (0.50) | CA1CA2CA9CA4CA7 | |
| SCHEMBL12656464 | 0.69 | CA1 (0.46) | CA1CA2CA9CA4CA7 | |
| SCHEMBL28144965 | 0.69 | NR4A2 (0.46) | CA1CA2CA9HTR6TP53 | |
| SCHEMBL12656533 | 0.69 | CA1 (0.43) | CA1CA2CA9CA4CA7 |
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-2011063293-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTIHELMINTH AGENTS | ANACOR PHARMACEUTICALS, INC. (US) | 2011-05-26 | — | — | WO | disclosed |