Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.57 |
| ▸ | KLK1 | P06870 | 1/20 | 0.53 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13111041 | 0.85 | PDE4B (0.57) | PDE4BKLK1KLK5 | |
| SCHEMBL3472670 | 0.83 | PDE4B (0.60) | CA12CA1CA2CA9PDE4B | |
| SCHEMBL3475067 | 0.83 | KLK1 (0.69) | CA12CA1CA2CA9PDE4B | |
| SCHEMBL3472754 | 0.82 | PDE4B (0.83) | PDE4BKLK1KLK5 | |
| SCHEMBL13111069 | 0.81 | PDE4B (0.52) | PDE4BKLK1KLK5 | |
| SCHEMBL3473905 | 0.80 | CA12 (0.53) | CA12CA1CA2CA9PDE4B | |
| SCHEMBL13394055 | 0.79 | PDE4B (0.52) | PDE4BKLK1KLK5ROCK2ROCK1 | |
| SCHEMBL13637220 | 0.79 | KLK1 (0.51) | PDE4BKLK1KLK5ROCK2ROCK1 | |
| SCHEMBL1135299 | 0.78 | CA12 (0.65) | CA12CA1CA2CA9PDE4B | |
| SCHEMBL3472698 | 0.77 | PDE4B (0.85) | CA1CA2CA9PDE4BKLK1 |
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-2009140309-A2 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2009-11-19 | — | — | WO | disclosed |