Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.30 |
| ▸ | HTR1D | P28221 | 3/20 | 0.30 |
| ▸ | HTR2A | P28223 | 3/20 | 0.30 |
| ▸ | HTR1A | P08908 | 2/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2729498 | 0.81 | KCNJ1 (0.36) | KCNJ1DRD2HTR1DHTR2AHTR1A | |
| SCHEMBL298050 | 0.80 | KCNJ1 (0.36) | KCNJ1DRD2HTR1DHTR2ADRD4 | |
| SCHEMBL2900289 | 0.76 | KCNJ1 (0.36) | KCNJ1DRD2HTR1DHTR2AHTR1A | |
| SCHEMBL296709 | 0.67 | CYP1A2 (0.39) | — | |
| SCHEMBL2730679 | 0.66 | TSHR (0.34) | DRD2HTR1ADRD4 | |
| SCHEMBL2891099 | 0.65 | KCNJ1 (0.40) | KCNJ1DRD2HTR1DHTR2AHTR1A | |
| SCHEMBL299486 | 0.65 | KCNJ1 (0.38) | KCNJ1DRD2HTR1DHTR2AHTR1A | |
| SCHEMBL2891301 | 0.64 | KCNJ1 (0.35) | KCNJ1DRD2HTR1DHTR2AHTR1A | |
| SCHEMBL2728243 | 0.64 | KCNJ1 (0.37) | KCNJ1HTR2A | |
| SCHEMBL2733801 | 0.64 | TSHR (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427444-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010129379-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2010-11-11 | — | — | WO | disclosed |