Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL13153088 | 0.79 | NOS3 (0.46) | CHRM3LMNACHRM2CHRM4CHRM5 | |
| SCHEMBL18757172 | 0.75 | CHRM3 (0.33) | CHRM3LMNACHRM2CHRM4CHRM5 | |
| SCHEMBL20558734 | 0.69 | PTPN1 (0.44) | CHRM3LMNACHRM2CHRM4CHRM5 | |
| SCHEMBL2600399 | 0.69 | CHRM3 (0.44) | CHRM3LMNACHRM2CHRM4CHRM5 | |
| SCHEMBL27519680 | 0.67 | PTPN1 (0.39) | CHRM3LMNACHRM2CHRM4CHRM5 | |
| SCHEMBL2600393 | 0.66 | CHRM3 (0.42) | CHRM3LMNACHRM2CHRM4CHRM5 | |
| SCHEMBL5906945 | 0.65 | PTPN1 (0.50) | CHRM3LMNACHRM2CHRM4CHRM5 | |
| SCHEMBL14897926 | 0.64 | TSHR (0.35) | NPSR1HSD17B10ALDH1A1KDM4ETSHR | |
| SCHEMBL43992 | 0.63 | — | — | |
| SCHEMBL6382886 | 0.63 | NPSR1 (0.35) | NPSR1SLC6A3HSD17B10ALDH1A1 |
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-2014121695-A1 | NOVEL XANTHINE OXIDASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | 镇江新元素医药科技有限公司 (CN) | 2014-08-14 | — | — | WO | disclosed |