Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.44 |
| ▸ | BACE1 | P56817 | 3/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917068 | 0.89 | PTGES (0.49) | SLC1A2SLC1A1SLC1A3CASRPTGES | |
| SCHEMBL30438319 | 0.87 | BACE1 (0.38) | AURKARPS6KB1BACE1CASRTRPV4 | |
| SCHEMBL30439007 | 0.83 | OPRK1 (0.38) | — | |
| SCHEMBL21747667 | 0.83 | RIPK1 (0.40) | PTGES | |
| SCHEMBL20622322 | 0.83 | SLC6A9 (0.37) | BACE1KMT2A | |
| SCHEMBL19564591 | 0.83 | RIPK1 (0.40) | PTGES | |
| SCHEMBL20917044 | 0.80 | CACNA2D1 (0.51) | SLC1A2SLC1A1SLC1A3PTGESNR1H4 | |
| SCHEMBL29967239 | 0.78 | L3MBTL1 (0.38) | — | |
| SCHEMBL28415368 | 0.77 | SLC1A2 (0.54) | SLC1A2SLC1A1SLC1A3PTGESNR1H4 | |
| SCHEMBL20622324 | 0.77 | LIPG (0.36) | BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111225901-B | Propylamine derivatives for the treatment of pain and pain-related disorders | 埃斯特韦制药股份公司 | 2023-07-04 | — | — | CN | disclosed |