Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | GPR6 | P46095 | 5/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30838046 | 0.88 | GPR6 (0.37) | IL1BNOS1GPR6HRH4 | |
| Hydrochloric Acid SCHEMBL30838021 | 0.83 | JAK1 (0.39) | IL1BATRATRIPNOS1GPR6 | |
| SCHEMBL24288109 | 0.78 | MAP4K4 (0.36) | MAPK14AOC3HRH4DPP4 | |
| SCHEMBL24288090 | 0.78 | HRH4 (0.45) | METAXLMERTKHRH4CHRM3 | |
| SCHEMBL24288064 | 0.78 | ALDH1A1 (0.47) | IL1B | |
| Hydrochloric Acid SCHEMBL30838015 | 0.77 | HRH4 (0.45) | METAXLMERTKHRH4CHRM3 | |
| SCHEMBL24288099 | 0.77 | IL1B (0.39) | IL1BLRRK2NOS1MERTK | |
| Hydrochloric Acid SCHEMBL30837986 | 0.77 | CHRM3 (0.47) | HRH4CHRM3 | |
| Hydrochloric Acid SCHEMBL30838088 | 0.76 | ALDH1A1 (0.44) | IL1B | |
| SCHEMBL24288255 | 0.74 | USP2 (0.42) | MAPK14METMERTKDPP4 |
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-2022053823-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR | Cerevance, Inc. (US) | 2022-03-17 | — | — | WO | disclosed |