Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 4/20 | 0.86 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 SCHEMBL792649 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL17329435 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL2580744 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL8840674 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL633811 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL57922 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL4254194 | 0.93 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL3635739 | 0.93 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL22658214 | 0.93 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL71524 | 0.93 | SLC22A1 (0.86) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104884465-B | Methods and compositions for treating multiple sclerosis and related disorders | 乌第有限合伙公司 | 2019-06-14 | — | — | CN | disclosed |