Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.33 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26698246 | 0.77 | CHRM1 (0.56) | CHRM2CHRM1SLC1A2SLC1A3KCNH2 | |
| SCHEMBL6205499 | 0.75 | ALDH1A1 (0.47) | CHRM2CHRM1SLC1A2SLC1A3KCNH2 | |
| SCHEMBL31485410 | 0.71 | PDK1 (0.41) | PDK1TXNRD1TXNRD3TXNRD2 | |
| SCHEMBL7345340 | 0.68 | CHRM2 (0.40) | CHRM2CHRM1SLC1A2SLC1A3ABCB1 | |
| SCHEMBL3641753 | 0.68 | SLC1A2 (0.62) | CHRM1SLC1A2SLC1A3KCNH2ABCB1 | |
| SCHEMBL11903577 | 0.68 | FFAR1 (0.48) | CHRM2CHRM1SLC1A2SLC1A3CYP2D6 | |
| SCHEMBL1007435 | 0.65 | TSHR (0.59) | CHRM2CHRM1SLC6A3 | |
| SCHEMBL5650782 | 0.65 | MAOB (0.58) | MAOB | |
| SCHEMBL1007437 | 0.65 | TSHR (0.59) | CHRM2CHRM1SLC6A3 | |
| SCHEMBL1007926 | 0.65 | TSHR (0.59) | CHRM2CHRM1SLC6A3 |
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-113801163-B | Organic arsenic-based II-type pyruvate kinase inhibitor and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2025-03-04 | — | — | CN | disclosed |