Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27535561 | 0.85 | CYP2D6 (0.36) | TSHRCYP2D6CYP2C19CHRM2CHRM1 | |
| SCHEMBL2414793 | 0.83 | THRB (0.46) | TSHRTHRBCYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27609883 | 0.81 | CYP2D6 (0.47) | TSHRCYP2D6CYP2C19ALDH1A1CHRM2 | |
| SCHEMBL149959 | 0.81 | TSHR (0.52) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL27941950 | 0.81 | CHRM2 (0.37) | CYP2D6CYP2C19CHRM2CHRM1CHRM3 | |
| SCHEMBL345806 | 0.78 | TSHR (0.53) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL28808739 | 0.78 | MAPT (0.33) | TSHRCYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27966881 | 0.78 | THRB (0.50) | TSHRTHRBCYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL14942140 | 0.76 | TSHR (0.52) | TSHRTHRBCYP2D6CYP2C19ALDH1A1 | |
| Methacrylic Acid SCHEMBL8175854 | 0.76 | TSHR (0.47) | TSHRTHRBALDH1A1POLBAPEX1 |
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-117402304-A | Acid-activated bioorthogonal click amphiphilic polymer and nanoparticle, preparation method and application thereof | 华东师范大学 | 2024-01-16 | — | — | CN | disclosed |