Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | CASP2 | P42575 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | FER | P16591 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL28914816 | 0.98 | GSK3B (0.54) | GSK3BCASP3CASP2CASP7CASP6 | |
| Phthalimide SCHEMBL11869376 | 0.88 | GSK3B (0.65) | GSK3BCASP3CASP2CASP7CASP6 | |
| Phthalimide SCHEMBL17729108 | 0.86 | GSK3B (0.68) | GSK3BCASP3CASP2CASP7CASP6 | |
| Phthalimide SCHEMBL28946377 | 0.82 | GSK3B (0.75) | GSK3BCASP3CASP2CASP7CASP6 | |
| Phthalimide SCHEMBL8693407 | 0.81 | GSK3B (0.56) | GSK3BCASP3CASP2CASP7CASP6 | |
| Phthalimide SCHEMBL28193801 | 0.80 | GSK3B (0.79) | GSK3BCASP3CASP2CASP7CASP6 | |
| Phthalimide SCHEMBL5667903 | 0.79 | GSK3B (0.58) | GSK3BCASP3CASP2CASP7CASP6 | |
| Phthalimide SCHEMBL27772863 | 0.79 | GSK3B (0.58) | GSK3BCASP3CASP2CASP7CASP6 | |
| Undecane SCHEMBL6521219 | 0.79 | GSK3B (0.52) | GSK3BCASP3CASP2CASP7CASP6 | |
| Tetrabuthylammonium SCHEMBL8967565 | 0.78 | SLC22A1 (0.44) | SLC22A1ALDH1A1ALOX12SLC22A2PTPN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108738321-B | GalNAc cluster phosphoramidites | 豪夫迈·罗氏有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-108738321-A9 | GalNAc cluster phosphoramidites | 豪夫迈·罗氏有限公司 | 2021-01-29 | — | — | CN | disclosed |
| US-5494983-A | Method for anionic polymerization of acrylic and methacrylic acid derivatives and acrylonitrile methacrylonitrile using resonance stabilized anions | Reetz, Manfred T. (DE) | 1996-02-27 | — | — | US | disclosed |