Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 10/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2728243 | 0.85 | KCNJ1 (0.37) | KCNJ1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2733002 | 0.80 | KCNJ1 (0.37) | KCNJ1TAAR1DRD1 | |
| SCHEMBL2891301 | 0.80 | KCNJ1 (0.35) | KCNJ1HTR1ADRD2DRD4HTR1D | |
| SCHEMBL299486 | 0.76 | KCNJ1 (0.38) | KCNJ1HTR1ADRD2DRD4HTR1D | |
| SCHEMBL2897011 | 0.75 | KCNJ1 (0.42) | KCNJ1HTR1ADRD2DRD4HTR1D | |
| SCHEMBL2900190 | 0.75 | KCNJ1 (0.62) | KCNJ1KCNH2 | |
| SCHEMBL4549333 | 0.73 | KCNJ1 (0.52) | KCNJ1KCNH2 | |
| SCHEMBL2898321 | 0.71 | HTR2A (0.41) | KCNJ1KCNH2HTR1ADRD2DRD4 | |
| SCHEMBL2732158 | 0.70 | GPR119 (0.42) | KCNJ1 | |
| SCHEMBL11624355 | 0.69 | MAPT (0.46) | HTR1ADRD2DRD4HTR1DHTR2A |
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-2632464-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058134-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |