Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | REN | P00797 | 5/20 | 0.51 |
| ▸ | GHSR | Q92847 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8171105 | 0.86 | SLC6A4 (0.59) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL5511565 | 0.84 | SLC6A4 (0.63) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL5072329 | 0.83 | SLC6A4 (0.59) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL79378 | 0.82 | SLC6A4 (0.64) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL4705058 | 0.81 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL662533 | 0.77 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL65337 | 0.77 | SLC6A4 (0.58) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL65338 | 0.77 | SLC6A4 (0.58) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL5802342 | 0.74 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL5802348 | 0.74 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 |
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 |