Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.58 |
| ▸ | JUN | P05412 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.51 |
| ▸ | TUBB | P07437 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL153056 | 0.94 | CA12 (0.59) | TSHRKDM4ENR3C1JUNNFKB1 | |
| SCHEMBL3328971 | 0.92 | TSHR (0.64) | TSHRKDM4ENR3C1JUNNFKB1 | |
| SCHEMBL29440769 | 0.90 | KDM4E (0.67) | TSHRKDM4EBACE1MAPTMAPK1 | |
| SCHEMBL1866980 | 0.90 | KDM4E (0.67) | TSHRKDM4EBACE1MAPTMAPK1 | |
| SCHEMBL28073562 | 0.87 | PTGS1 (0.58) | TSHRKDM4ENR3C1JUNNFKB1 | |
| SCHEMBL11793587 | 0.86 | BACE1 (0.61) | TSHRKDM4ENR3C1JUNNFKB1 | |
| SCHEMBL3327344 | 0.85 | CA12 (0.63) | TSHRKDM4ENR3C1TNFSF11BACE1 | |
| SCHEMBL6095119 | 0.84 | TSHR (0.58) | TSHRKDM4EMAPTMAPK1ALDH1A1 | |
| SCHEMBL2333834 | 0.84 | TSHR (0.55) | TSHRKDM4ENR3C1JUNNFKB1 | |
| SCHEMBL9958587 | 0.83 | TSHR (0.54) | TSHRKDM4ENR3C1JUNNFKB1 |
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 |