Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL21962214 | 0.78 | HRH3 (0.48) | HRH3HRH4PARP1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL11688138 | 0.77 | HRH3 (0.58) | HRH3HRH4PARP1SLC6A2SLC6A4 | |
| SCHEMBL8251603 | 0.77 | HRH3 (0.46) | HRH3PARP1SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL22013710 | 0.76 | HRH3 (0.46) | HRH3HRH4PARP1SLC6A2SLC6A4 | |
| SCHEMBL4517897 | 0.75 | HRH3 (0.47) | HRH3HRH4PARP1SLC6A2SLC6A4 | |
| SCHEMBL29957867 | 0.75 | HRH3 (0.55) | HRH3HRH4PARP1SLC6A2SLC6A4 | |
| SCHEMBL12084399 | 0.74 | HRH3 (0.73) | HRH3HRH4PARP1SLC6A2SLC6A4 | |
| SCHEMBL12082363 | 0.73 | HRH3 (0.77) | HRH3HRH4PARP1SLC6A2SLC6A4 | |
| SCHEMBL4509098 | 0.72 | HRH3 (0.44) | HRH3HRH4PARP1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL11684009 | 0.72 | ALDH1A1 (0.59) | HRH3HRH4PARP1ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |