Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10053169 | 0.85 | CA1 (0.53) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL500011 | 0.84 | CA1 (0.49) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053194 | 0.83 | CA1 (0.48) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL500871 | 0.82 | CA1 (0.53) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL500067 | 0.82 | CA1 (0.49) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053182 | 0.80 | CA1 (0.61) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053279 | 0.80 | CA1 (0.50) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL500198 | 0.79 | CA1 (0.59) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL500789 | 0.78 | CA1 (0.54) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053178 | 0.77 | CA1 (0.47) | CA1CA2PDE3APDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| US-8106031-B2 | Hydrolytically-resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |