Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.50 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | NEK6 | Q9HC98 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 5/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12553498 | 0.73 | CYP1A1 (0.50) | CYP1A1NUAK1IGF1RMETPIM1 | |
| SCHEMBL17328844 | 0.72 | KCNJ1 (0.39) | NUAK1IGF1RMETPIM1SRC | |
| SCHEMBL286485 | 0.70 | NUAK1 (0.42) | CYP1A1NUAK1IGF1RMETPIM1 | |
| SCHEMBL12553376 | 0.69 | CYP1A1 (0.50) | CYP1A1NUAK1IGF1RMETPIM1 | |
| SCHEMBL286562 | 0.68 | NUAK1 (0.41) | CYP1A1NUAK1IGF1RMETPIM1 | |
| SCHEMBL21118324 | 0.66 | ALOX5 (0.48) | TDP1LIPGMEN1TP53CYP3A4 | |
| SCHEMBL28659570 | 0.64 | CA2 (0.35) | CYP1A1NUAK1IGF1RMETPIM1 | |
| SCHEMBL28665352 | 0.64 | IMPDH1 (0.39) | CYP1A1NUAK1IGF1RMETPIM1 | |
| SCHEMBL27959353 | 0.63 | ALOX5 (0.46) | TDP1LIPGMEN1TP53CYP3A4 | |
| SCHEMBL19273739 | 0.62 | ALOX5 (0.42) | TDP1LIPGMEN1TP53CYP3A4 |
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 |