Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.34 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15345862 | 0.86 | NPSR1 (0.48) | NPSR1EPHX2KCNH2CACNA1FCHRM2 | |
| Tetrabuthylammonium SCHEMBL28459202 | 0.86 | SLC22A1 (0.55) | SLC22A1EPHX2SLC22A2FAAHALDH1A1 | |
| SCHEMBL27938410 | 0.84 | NPSR1 (0.47) | NPSR1EPHX2KCNH2CACNA1FCHRM2 | |
| SCHEMBL35194 | 0.84 | SLC22A1 (0.52) | SLC22A1EPHX2SLC22A2FAAHALDH1A1 | |
| Tetrabuthylammonium SCHEMBL27850437 | 0.84 | SLC22A1 (0.52) | SLC22A1EPHX2SLC22A2FAAHALDH1A1 | |
| Sulfuric Acid SCHEMBL29054619 | 0.84 | NPSR1 (0.52) | NPSR1EPHX2KCNH2CACNA1FCHRM2 | |
| SCHEMBL16395980 | 0.83 | LMNA (0.43) | NPSR1EPHX2KCNH2CACNA1FCHRM2 | |
| Tetrabuthylammonium SCHEMBL1111624 | 0.83 | BBOX1 (0.41) | SLC22A1NPSR1EPHX2SLC22A2KCNH2 | |
| SCHEMBL15965937 | 0.82 | SLC22A1 (0.55) | SLC22A1EPHX2SLC22A2ALDH1A1TP53 | |
| Tetrabuthylammonium SCHEMBL27771268 | 0.82 | SLC22A1 (0.55) | SLC22A1EPHX2SLC22A2FAAHALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2279192-B1 | IONIC LIQUIDS | MERCK PATENT GMBH (DE) | 2013-10-30 | — | — | EP | claimed |