Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 3/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22607338 | 0.81 | TSHR (0.42) | TSHRALDH1A1HTTSLC22A12AR | |
| SCHEMBL179312 | 0.77 | TSHR (0.50) | TSHRALDH1A1HTTSLC22A12AR | |
| Ethane SCHEMBL2153712 | 0.75 | TSHR (0.48) | TSHRALDH1A1HTTSLC22A12AR | |
| SCHEMBL10471530 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTSLC22A12AR | |
| SCHEMBL30619339 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTSLC22A12HSD11B1 | |
| SCHEMBL16019328 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTSLC22A12AR | |
| SCHEMBL30539490 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTSLC22A12AR | |
| SCHEMBL9034853 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTSLC22A12HSD11B1 | |
| SCHEMBL29852135 | 0.74 | AR (0.47) | TSHRALDH1A1HTTSLC22A12HSD11B1 | |
| SCHEMBL151808 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTSLC22A12AR |
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 |