Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | PRKACG | P22612 | 1/20 | 0.34 |
| ▸ | PRKACB | P22694 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 3/20 | 0.32 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.31 |
| ▸ | PRKAA2 | P54646 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27972715 | 0.81 | TSHR (0.37) | CTSKCDC25BPRKACAPRKACGPRKACB | |
| SCHEMBL29032434 | 0.81 | APEX1 (0.36) | CTSKCDC25BPRKACAPRKACGPRKACB | |
| SCHEMBL7073356 | 0.77 | ALDH1A1 (0.39) | CTSKALBCDC25BPRKACAPRKACG | |
| SCHEMBL28839236 | 0.76 | ALDH1A1 (0.35) | CTSKPRKACAPRKACGPRKACBOPRM1 | |
| SCHEMBL28227059 | 0.76 | PARP1 (0.37) | PRKACAPRKACGPRKACBTSHRALDH1A1 | |
| SCHEMBL29239532 | 0.76 | ALB (0.34) | ALBCDC25BCYP2C9NOTUMOPRM1 | |
| SCHEMBL7674061 | 0.76 | PARP1 (0.39) | PRKACAPRKACGPRKACB | |
| SCHEMBL27885732 | 0.75 | PRKACA (0.36) | PRKACAPRKACGPRKACB | |
| SCHEMBL29290313 | 0.74 | DHODH (0.36) | ALDH1A1L3MBTL1LMNAMAPTDHODH | |
| SCHEMBL4006946 | 0.72 | ALB (0.41) | ALBCDC25BCYP2C9NOTUMTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118206507-A | Selenium-containing compound and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2024-06-18 | — | — | CN | disclosed |
| CN-116925009-A | Compound containing 4-methylthio benzyl and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2023-10-24 | — | — | CN | disclosed |