Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 13/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640809 | 0.85 | GSK3B (0.36) | GSK3BCDC7CYP2D6 | |
| SCHEMBL6202952 | 0.73 | GSK3B (0.40) | GSK3BP2RX7NAMPTCDC7CYP2D6 | |
| SCHEMBL29640776 | 0.71 | GSK3B (0.37) | GSK3BP2RX7CDC7GRM5 | |
| SCHEMBL29640916 | 0.70 | SMN1; SMN2 (0.41) | GSK3BCYP2D6 | |
| SCHEMBL29640772 | 0.65 | CYP1A2 (0.39) | GSK3BNAMPTCYP2D6 | |
| SCHEMBL13742061 | 0.62 | ALDH1A1 (0.54) | ADORA3 | |
| SCHEMBL1569062 | 0.61 | GSK3B (0.44) | GSK3BCYP2D6 | |
| SCHEMBL10402322 | 0.61 | HSP90AA1 (0.48) | GSK3BP2RX7CDC7GRM5CYP2D6 | |
| SCHEMBL30595872 | 0.60 | HSP90AA1 (0.52) | GSK3BP2RX7CDC7GRM5CYP2D6 | |
| SCHEMBL2814353 | 0.60 | HSP90AA1 (0.52) | GSK3BP2RX7CDC7GRM5CYP2D6 |
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-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |