Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.39 |
| ▸ | FEN1 | P39748 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | USP7 | Q93009 | 2/20 | 0.38 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.36 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL17128203 | 0.87 | IRAK4 (0.38) | HRH4IRAK4PARP1PDE10ASLC22A12 | |
| SCHEMBL21336706 | 0.86 | ALDH1A1 (0.39) | HRH4IRAK4SLC22A12HPGDSFYN | |
| SCHEMBL17127785 | 0.85 | SQOR (0.41) | HRH4IRAK4SLC22A12MAPKAPK2KDM4A | |
| SCHEMBL17128379 | 0.85 | HRH4 (0.38) | HRH4IRAK4PARP1SLC22A12KDM4A | |
| SCHEMBL17128140 | 0.85 | HRH4 (0.44) | HRH4IRAK4PARP1MAP4K4MINK1 | |
| SCHEMBL21336710 | 0.81 | HRH4 (0.40) | HRH4IRAK4PARP1SLC22A12MAPKAPK2 | |
| SCHEMBL17127906 | 0.80 | HRH4 (0.39) | HRH4IRAK4PARP1PDE10ASLC22A12 | |
| SCHEMBL17127609 | 0.80 | HRH4 (0.39) | HRH4IRAK4PARP1PDE10ASLC22A12 | |
| SCHEMBL17128318 | 0.79 | BRS3 (0.43) | HRH4IRAK4PARP1MAP4K4SLC22A12 | |
| SCHEMBL17128206 | 0.78 | HRH4 (0.38) | HRH4SLC22A12 |
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-2015144001-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | 南京明德新药研发股份有限公司 | 2015-10-01 | — | — | WO | disclosed |