Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL500011 | 0.89 | CA1 (0.49) | ACHECA1CA2PDE3ASMN1; SMN2 | |
| SCHEMBL10053189 | 0.88 | CA1 (0.42) | CA1CA2PDE3ATP53CA12 | |
| SCHEMBL10077728 | 0.84 | CA1 (0.41) | ACHECA1CA2PDE3ACA12 | |
| SCHEMBL14001037 | 0.83 | CA1 (0.39) | CA1CA2PDE3ACA12CA9 | |
| SCHEMBL596370 | 0.83 | CA1 (0.42) | CA1CA2PDE3ACA12CA9 | |
| SCHEMBL596056 | 0.83 | CA1 (0.39) | CA1CA2PDE3ARAB9ACA12 | |
| SCHEMBL10053280 | 0.82 | CA1 (0.43) | ACHECA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL10053198 | 0.80 | CA1 (0.46) | CA1CA2PDE3ACA12CA9 | |
| SCHEMBL12589677 | 0.80 | CA1 (0.36) | CA1CA2PDE3ACA12CA9 | |
| SCHEMBL595745 | 0.80 | PDE4B (0.40) | CA1CA2PDE3ANPY5RPDE4A |
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 |