Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA5A | P35218 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4789261 | 0.83 | CA2 (0.48) | CA2CA12CA4CA6CA5A | |
| SCHEMBL5610449 | 0.82 | KDM4E (0.58) | KDM4EMAPTALDH1A1ALOX5GAA | |
| SCHEMBL2311805 | 0.78 | KDM4E (0.54) | KDM4EMAPTALDH1A1ALOX5GAA | |
| SCHEMBL2312808 | 0.78 | KDM4E (0.54) | KDM4EMAPTALDH1A1ALOX5GAA | |
| SCHEMBL2311214 | 0.76 | KDM4E (0.52) | KDM4EMAPTALDH1A1ALOX5GAA | |
| SCHEMBL15890465 | 0.76 | KDM4E (0.52) | KDM4EMAPTALDH1A1ALOX5GAA | |
| SCHEMBL5315803 | 0.74 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL29434705 | 0.74 | CYP1A2 (0.56) | KDM4EMAPTALDH1A1ALOX5GAA | |
| SCHEMBL79723 | 0.74 | CYP1A2 (0.56) | KDM4EMAPTALDH1A1ALOX5GAA | |
| SCHEMBL2310101 | 0.74 | KDM4E (0.50) | KDM4EMAPTALDH1A1ALOX5GAA |
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 |