Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 8/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 4/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8007244 | 0.88 | PDE4B (0.42) | PDE4BARNPC1RAB9APDE4A | |
| SCHEMBL19622265 | 0.84 | AR (0.36) | PDE4BARPDE4APDE4CPDE4D | |
| SCHEMBL14748463 | 0.84 | PDE4B (0.47) | PDE4BARNPC1RAB9APDE4A | |
| SCHEMBL14748445 | 0.83 | PDE4B (0.44) | PDE4BARNPC1RAB9APDE4A | |
| SCHEMBL14748447 | 0.80 | HPGD (0.42) | PDE4BTP53HSD17B10ALDH1A1 | |
| SCHEMBL19622201 | 0.79 | PDE4B (0.48) | PDE4BARPDE4APDE4CPDE4D | |
| SCHEMBL14748448 | 0.76 | PDE4B (0.41) | PDE4BARPDE4APDE4CPDE4D | |
| SCHEMBL14748444 | 0.76 | AR (0.39) | PDE4BARPDE4APDE4CPDE4D | |
| SCHEMBL14748450 | 0.76 | PDE4B (0.44) | PDE4BARPDE4APDE4CPDE4D | |
| SCHEMBL14748366 | 0.76 | PDE4B (0.42) | PDE4BARPDE4APDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246034-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |