Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL286562 | 0.81 | NUAK1 (0.41) | — | |
| SCHEMBL300145 | 0.74 | KCNJ1 (0.40) | — | |
| SCHEMBL2899685 | 0.66 | NUAK1 (0.42) | — | |
| SCHEMBL855628 | 0.65 | NUAK1 (0.35) | ALDH1A1 | |
| SCHEMBL286714 | 0.64 | KDM4E (0.36) | ALDH1A1 | |
| SCHEMBL286736 | 0.62 | NUAK1 (0.45) | ALDH1A1 | |
| SCHEMBL855516 | 0.61 | EPAS1 (0.34) | ALDH1A1 | |
| SCHEMBL286489 | 0.61 | KCNJ1 (0.40) | — | |
| SCHEMBL854104 | 0.61 | ALOX5 (0.38) | PTGS2PTGS1 | |
| SCHEMBL286485 | 0.60 | NUAK1 (0.42) | — |
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 |