Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 5/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.50 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | LTA4H | P09960 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | 0.85 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DMAOA | |
| SCHEMBL19622266 | 0.83 | ALDH1A1 (0.47) | PDE4APDE4BPDE4CPDE4DMAOA | |
| SCHEMBL8007094 | 0.83 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DMAOA | |
| SCHEMBL14748434 | 0.83 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DMAOA | |
| SCHEMBL10268391 | 0.82 | HTR2A (0.35) | — | |
| SCHEMBL7997145 | 0.80 | AR (0.45) | PDE4APDE4BPDE4CPDE4DAR | |
| SCHEMBL8010793 | 0.80 | ST14 (0.51) | MAOB | |
| SCHEMBL14470676 | 0.80 | PDE4B (0.53) | PDE4APDE4BPDE4CPDE4DMAOA | |
| SCHEMBL7995366 | 0.80 | PDE4B (0.53) | PDE4APDE4BPDE4CPDE4DMAOA | |
| SCHEMBL14748454 | 0.78 | MAOB (0.53) | PDE4APDE4BPDE4CPDE4DMAOA |
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 |