Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 13/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 3/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1229665 | 0.90 | GCK (0.33) | RENKCNH2CYP3A4CNR1CNR2 | |
| SCHEMBL1228594 | 0.77 | REN (0.54) | RENKCNH2CYP3A4 | |
| SCHEMBL1072876 | 0.68 | REN (0.43) | RENKCNH2CYP3A4 | |
| SCHEMBL1229668 | 0.67 | REN (0.49) | RENKCNH2CYP3A4 | |
| SCHEMBL3417760 | 0.63 | REN (0.51) | RENKCNH2CYP3A4 | |
| SCHEMBL13154771 | 0.63 | HTT (0.39) | RENKCNH2CYP3A4CNR1CNR2 | |
| SCHEMBL3108569 | 0.60 | REN (0.73) | RENKCNH2CYP3A4 | |
| SCHEMBL2484846 | 0.60 | BRD4 (0.37) | — | |
| SCHEMBL1073951 | 0.59 | GAA (0.49) | — | |
| SCHEMBL17847640 | 0.59 | TLR4 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2467385-A1 | RENIN INHIBITORS | Merck Canada Inc. (CA) | 2012-06-27 | — | — | EP | disclosed |
| EP-2376473-A1 | 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | Merck Canada Inc. (CA) | 2011-10-19 | — | — | EP | disclosed |
| WO-2011020193-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-02-24 | — | — | WO | disclosed |
| EP-2229363-A1 | RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2010-09-22 | — | — | EP | disclosed |
| WO-2010066028-A1 | 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2010-06-17 | — | — | WO | disclosed |
| WO-2009070869-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-06-11 | — | — | WO | disclosed |