Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2529906 | 0.79 | PDE4B (0.59) | CYP11B1 | |
| Hydrochloric Acid SCHEMBL2531017 | 0.78 | PDE4B (0.58) | CYP11B1 | |
| SCHEMBL14748470 | 0.77 | PDE4B (0.40) | SLC6A4HTR2AKCNH2 | |
| SCHEMBL8005549 | 0.77 | AR (0.44) | SLC6A4HTR2AKCNH2 | |
| SCHEMBL8005546 | 0.76 | AR (0.59) | CYP11B1SLC6A4HTR2AKCNH2 | |
| SCHEMBL14470676 | 0.76 | PDE4B (0.53) | HRH3ALDH1A1KDM4ESCN9A | |
| SCHEMBL14748449 | 0.74 | PDE4B (0.38) | SLC6A4HTR2AKCNH2ALDH1A1 | |
| SCHEMBL14748446 | 0.72 | PTGDR2 (0.45) | — | |
| SCHEMBL19622265 | 0.70 | AR (0.36) | SCN9A | |
| SCHEMBL2527200 | 0.69 | PDE4B (0.59) | — |
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 |