Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24394138 | 0.82 | NR4A1 (0.40) | NR4A1NR4A2NR4A3OPRM1OPRL1 | |
| SCHEMBL29588039 | 0.82 | NR4A1 (0.40) | NR4A1NR4A2NR4A3OPRM1OPRL1 | |
| SCHEMBL25564666 | 0.79 | SLC6A3 (0.40) | NR4A1NR4A2NR4A3OPRM1OPRL1 | |
| SCHEMBL25564144 | 0.78 | SLC6A3 (0.43) | NR4A1NR4A2NR4A3OPRM1OPRL1 | |
| SCHEMBL24616758 | 0.78 | APP (0.37) | NR4A1NR4A2NR4A3OPRM1OPRL1 | |
| SCHEMBL25564245 | 0.77 | SLC6A3 (0.46) | NR4A1NR4A2NR4A3OPRM1OPRL1 | |
| SCHEMBL24397836 | 0.75 | SLC6A3 (0.36) | NR4A1NR4A2NR4A3OPRM1OPRL1 | |
| SCHEMBL25042483 | 0.75 | THRB (0.37) | OPRM1OPRL1APPTHRBPDE2A | |
| SCHEMBL24394134 | 0.75 | GSK3B (0.44) | OPRM1OPRL1APPTHRBPDE2A | |
| SCHEMBL24616782 | 0.74 | ALDH1A1 (0.42) | OPRM1OPRL1APPTHRBPDE2A |
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-2023017269-A1 | DERIVATIVES OF ITACONIC ACID AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | SITRYX THERAPEUTICS LIMITED (GB) | 2023-02-16 | — | — | WO | disclosed |