Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 5/20 | 0.35 |
| ▸ | GPR4 | P46093 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 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 | |
|---|---|---|---|---|
| SCHEMBL17828032 | 0.77 | SLC6A2 (0.38) | HTTRECQLSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29208054 | 0.76 | CYP11B2 (0.33) | SLC6A2SLC6A4SLC6A3CYP11B2 | |
| SCHEMBL10500255 | 0.74 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL25590997 | 0.73 | CYP11B2 (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL4258268 | 0.73 | GRM5 (0.41) | CYP2D6 | |
| SCHEMBL14577729 | 0.69 | CCR1 (0.48) | HTTRECQLCYP2D6CCR1CCR8 | |
| SCHEMBL20832007 | 0.69 | HTR2C (0.47) | SLC6A2SLC6A4SLC6A3HTR2CCYP11B2 | |
| SCHEMBL17828031 | 0.69 | IRAK4 (0.36) | HTTRECQLSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19510798 | 0.68 | S1PR2 (0.33) | — | |
| SCHEMBL29448585 | 0.68 | MEN1 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6 |
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-0149088-B1 | PYRIDINE-2-ETHERS RESPECTIVELY PYRIDINE-2-THIOETHERS WITH A NITROGEN CONTAINING CYCLOALIPHATIC RING AND SULFOXIDES,SULFANES AND PYRIDIN-N-OXIDES THEREOF | ASTA Pharma Aktiengesellschaft (DE) | 1989-01-18 | — | — | EP | claimed |