Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 SCHEMBL1703872 | 0.78 | NR1H2 (0.47) | SLC22A1ALDH1A1ALDH2ALDH3A1CES1 | |
| Tetrabuthylammonium SCHEMBL8967570 | 0.78 | GSK3B (0.56) | SLC22A1SLC22A2ALDH1A1PTPN1ALDH2 | |
| Phthalimide SCHEMBL3914569 | 0.78 | DNM1 (0.40) | ALDH1A1PTPN1SOAT1SMN1; SMN2 | |
| Tetrabuthylammonium SCHEMBL28914816 | 0.76 | GSK3B (0.54) | SLC22A1SLC22A2ALDH1A1PTPN1ALDH2 | |
| Tetrabuthylammonium SCHEMBL3258305 | 0.76 | CA12 (0.43) | SLC22A1ALDH1A1PTPN1ALDH2ALDH3A1 | |
| Tetrabuthylammonium SCHEMBL1703873 | 0.75 | ASAH1 (0.48) | ALDH1A1ALDH2ALDH3A1CES1CDC25A | |
| Tetrabuthylammonium SCHEMBL3296432 | 0.73 | SLC22A1 (0.60) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Phthalimide SCHEMBL9230 | 0.72 | KMT2A (0.47) | ALDH1A1CES1CDC25ACA9TP53 | |
| Phthalimide SCHEMBL7521029 | 0.72 | KMT2A (0.47) | ALDH1A1CES1CDC25ACA9TP53 | |
| Tetrabuthylammonium SCHEMBL28257379 | 0.71 | PTPN11 (0.57) | ALDH1A1CA12CA9TP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |