Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL230373 | 0.79 | KCNH2 (0.62) | KCNH2NPSR1 | |
| SCHEMBL11673240 | 0.78 | KCNH2 (0.71) | KCNH2HSD17B10KDM4ELMNAALDH1A1 | |
| SCHEMBL22838147 | 0.77 | KCNH2 (0.39) | KCNH2NPSR1HTTKDM4EALDH1A1 | |
| SCHEMBL1532577 | 0.76 | KCNH2 (0.75) | KCNH2HSD17B10KDM4ELMNAALDH1A1 | |
| SCHEMBL12525847 | 0.76 | HRH1 (0.43) | KCNH2 | |
| SCHEMBL8234820 | 0.75 | KCNH2 (0.47) | KCNH2SMN1; SMN2KCNH3 | |
| SCHEMBL17520375 | 0.75 | KCNH2 (0.50) | KCNH2NPSR1TSHRKDM4ELMNA | |
| SCHEMBL28074858 | 0.75 | IRAK4 (0.44) | KCNH2NPSR1HTTSMN1; SMN2HSD17B10 | |
| SCHEMBL8241098 | 0.74 | KCNH2 (0.46) | KCNH2LIPGKCNH3 | |
| SCHEMBL4273312 | 0.72 | KCNH2 (0.40) | KCNH2NPSR1KDM4EALDH1A1PGK1 |
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-1910272-A1 | RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007009250-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-01-25 | — | — | WO | disclosed |