Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.38 |
| ▸ | PARP1 | P09874 | 6/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5190879 | 0.80 | IRAK4 (0.36) | IRAK4PARP1CNR1CNR2TLR9 | |
| SCHEMBL21590173 | 0.71 | CNR1 (0.44) | IRAK4PARP1CNR1CNR2AURKA | |
| SCHEMBL5808501 | 0.69 | HTR2C (0.44) | PARP1TLR9TLR8TLR7IKBKB | |
| SCHEMBL23228757 | 0.67 | SLC6A4 (0.49) | — | |
| SCHEMBL22611791 | 0.67 | PARP1 (0.40) | IRAK4PARP1IKBKBCHUKRPS6KB1 | |
| SCHEMBL5134806 | 0.66 | PARP2 (0.39) | PARP1TLR9TLR8TLR7IKBKB | |
| SCHEMBL4560312 | 0.66 | PARP1 (0.38) | PARP1IKBKBCHUKCDC7PARP2 | |
| SCHEMBL5136170 | 0.66 | SLC6A4 (0.44) | CNR1CNR2 | |
| SCHEMBL5134530 | 0.66 | PARP1 (0.33) | PARP1 | |
| SCHEMBL5135172 | 0.65 | OPRM1 (0.37) | PARP1CNR1CNR2AURKARPS6KB1 |
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-1901746-A2 | 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS | Merck & Co., Inc. (US) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007002884-A2 | 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |