Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.53 |
| ▸ | PDE4A | P27815 | 2/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | LTA4H | P09960 | 3/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | MMP14 | P50281 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8007094 | 0.83 | PDE4A (0.50) | PDE4BPDE4APDE4CPDE4DMAOA | |
| SCHEMBL19622266 | 0.80 | ALDH1A1 (0.47) | PDE4BPDE4APDE4CPDE4DMAOA | |
| SCHEMBL8007552 | 0.80 | PDE4A (0.50) | PDE4BPDE4APDE4CPDE4DMAOA | |
| SCHEMBL14748434 | 0.80 | PDE4A (0.50) | PDE4BPDE4APDE4CPDE4DMAOA | |
| SCHEMBL8010793 | 0.76 | ST14 (0.51) | MAOBMMP2MMP9MMP14MMP8 | |
| SCHEMBL14470676 | 0.76 | PDE4B (0.53) | PDE4BPDE4APDE4CPDE4DMAOA | |
| SCHEMBL1685383 | 0.72 | CA1 (0.52) | PDE4BPDE4APDE4CPDE4DMAOB | |
| SCHEMBL11148692 | 0.72 | CA1 (0.52) | PDE4BPDE4APDE4CPDE4DMAOB | |
| SCHEMBL14748363 | 0.71 | MAOA (0.56) | MAOAMAOBL3MBTL1 | |
| SCHEMBL14748411 | 0.71 | AR (0.39) | PDE4BPDE4APDE4CPDE4DCA1 |
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 |