Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 3/20 | 0.38 |
| ▸ | DRD1 | P21728 | 4/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 4/20 | 0.31 |
| ▸ | DRD4 | P21917 | 4/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL2891099 | 0.90 | KCNJ1 (0.40) | KCNJ1DRD1TAAR1DRD2DRD4 | |
| SCHEMBL286554 | 0.81 | GID4 (0.38) | KCNJ1DRD1TAAR1HTR2AGID4 | |
| SCHEMBL2733021 | 0.81 | TERT (0.41) | — | |
| SCHEMBL298657 | 0.77 | KCNJ1 (0.38) | KCNJ1DRD1DRD2HTR2AGID4 | |
| SCHEMBL286681 | 0.77 | DRD1 (0.39) | DRD1TAAR1HTR2AGID4HTR2B | |
| SCHEMBL2733002 | 0.77 | KCNJ1 (0.37) | KCNJ1DRD1TAAR1 | |
| SCHEMBL2733149 | 0.76 | KCNJ1 (0.35) | KCNJ1DRD1TAAR1DRD2DRD4 | |
| SCHEMBL15319521 | 0.75 | DRD1 (0.42) | DRD1TAAR1HTR2AGID4HTR2B | |
| SCHEMBL298146 | 0.73 | CYP19A1 (0.37) | DRD2DRD4HTR1AHTR2AHTR1D | |
| SCHEMBL20700474 | 0.72 | DRD1 (0.60) | DRD1TAAR1HTR2AGID4ADRA2A |
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 |