Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.60 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.44 |
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 SCHEMBL106861 | 0.90 | SLC22A1 (0.67) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL28209653 | 0.90 | SLC22A1 (0.67) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Bicarbonate SCHEMBL28716225 | 0.87 | SLC22A1 (0.63) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL16343940 | 0.87 | SLC22A1 (0.63) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL29113226 | 0.87 | SLC22A1 (0.63) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL193669 | 0.87 | SLC22A1 (0.63) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL36122 | 0.87 | SLC22A1 (0.63) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL9118025 | 0.87 | SLC22A1 (0.63) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL109269 | 0.87 | SLC22A1 (0.63) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL21372575 | 0.87 | SLC22A1 (0.63) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106967066-B | Novel ss-lactam enzyme inhibitor and preparation method thereof | 明治制果药业株式会社 | 2019-07-30 | — | — | CN | disclosed |
| CN-105859609-B | Beta-lactamase inhibitor and preparation method thereof | 明治制果药业株式会社 | 2019-04-09 | — | — | CN | disclosed |
| CN-107501264-A | The preparation method of diazabicyclooctane derivative | 明治制果药业株式会社 | 2017-12-22 | — | — | CN | disclosed |
| CN-106967066-A | New beta lactamase restrainer and preparation method thereof | 明治制果药业株式会社 | 2017-07-21 | — | — | CN | disclosed |
| WO-2011135401-A1 | POLYSACCHARIDES COMPRISING CARBOXYL FUNCTIONAL GROUPS SUBSTITUTED BY ESTERIFICATION BY A HYDROPHOBIC ALCOHOL | ADOCIA (FR) | 2011-11-03 | — | — | WO | disclosed |