Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL29925677 | 0.90 | ACLY (0.32) | CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL7540204 | 0.72 | ALDH1A1 (0.37) | CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL18302657 | 0.72 | ALDH1A1 (0.37) | CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL25045698 | 0.68 | POLB (0.35) | — | |
| SCHEMBL27348008 | 0.68 | GABRR1 (0.42) | CYP2C19 | |
| SCHEMBL24054646 | 0.67 | THRA (0.44) | CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL19814985 | 0.64 | GRM2 (0.40) | CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL1682650 | 0.64 | GRM2 (0.43) | CYP2D6CYP2C19 | |
| SCHEMBL29895506 | 0.63 | ALDH1A1 (0.35) | TSHR | |
| Dimebutic Acid SCHEMBL5050667 | 0.63 | TSHR (0.35) | CYP2D6TSHRCYP2C19HIF1A |
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-113727979-A | Novel catecholamine prodrugs for the treatment of parkinson's disease | H.隆德贝克有限公司 | 2021-11-30 | — | — | CN | disclosed |