Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 4/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5801556 | 0.86 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DAADAT | |
| SCHEMBL28176199 | 0.82 | TMEM97 (0.47) | — | |
| SCHEMBL14748454 | 0.82 | MAOB (0.53) | SMN1; SMN2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14748434 | 0.81 | PDE4A (0.50) | SMN1; SMN2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14748410 | 0.81 | ALDH1A1 (0.54) | MTNR1B | |
| SCHEMBL8012418 | 0.79 | MAOA (0.40) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8007552 | 0.78 | PDE4A (0.50) | SMN1; SMN2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19622266 | 0.78 | ALDH1A1 (0.47) | SMN1; SMN2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8007094 | 0.78 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DLTA4H | |
| SCHEMBL8010793 | 0.78 | ST14 (0.51) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3246034-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2564857-A1 | Boron-containing small molecules as anti-inflammatory agents | Anacor Pharmaceuticals, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2009111676-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | ANACOR PHARMACEUTICALS, INC (US) | 2009-09-11 | — | — | WO | disclosed |