Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.55 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.52 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.41 |
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 SCHEMBL15655526 | 0.98 | SLC22A1 (0.52) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| Tetrabuthylammonium SCHEMBL31179740 | 0.98 | SLC22A1 (0.52) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| Tetrabuthylammonium SCHEMBL31179762 | 0.98 | SLC22A1 (0.52) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| Tetrabuthylammonium SCHEMBL31179786 | 0.98 | SLC22A1 (0.52) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| Tetrabuthylammonium SCHEMBL28755552 | 0.98 | SLC22A1 (0.52) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| Tetrabuthylammonium SCHEMBL30097947 | 0.95 | SLC22A1 (0.55) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| Tetrahexylammonium SCHEMBL31179683 | 0.93 | SLC22A1 (0.56) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| SCHEMBL31179775 | 0.93 | SLC22A1 (0.56) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| SCHEMBL31179764 | 0.93 | SLC22A1 (0.56) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 | |
| SCHEMBL31179759 | 0.93 | SLC22A1 (0.56) | SLC22A1BBOX1SLC22A2ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109276569-B | Stable crystal form pharmaceutical composition and preparation method and application thereof | 四川海思科制药有限公司 | 2020-09-29 | — | — | CN | disclosed |