Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 4/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL5136172 | 0.80 | IRAK4 (0.38) | IRAK4TLR9TLR7TLR8CDC7 | |
| SCHEMBL5134530 | 0.72 | PARP1 (0.33) | PARP1BTK | |
| SCHEMBL5134806 | 0.70 | PARP2 (0.39) | TLR9TLR7TLR8CDC7IKBKB | |
| SCHEMBL20140661 | 0.67 | MAOA (0.41) | — | |
| SCHEMBL15389531 | 0.67 | KDM4E (0.42) | IRAK4CNR2CNR1PARP1 | |
| SCHEMBL17185049 | 0.66 | PARP1 (0.46) | CDC7IKBKBCHUKPARP1 | |
| SCHEMBL5808501 | 0.66 | HTR2C (0.44) | TLR9TLR7TLR8CDC7IKBKB | |
| SCHEMBL5190868 | 0.65 | SLC6A4 (0.45) | — | |
| SCHEMBL5135172 | 0.65 | OPRM1 (0.37) | CNR2CNR1PARP1 | |
| SCHEMBL5135453 | 0.64 | THRB (0.40) | PARP1 |
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-1942893-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | Merck & Co., Inc. (US) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007053400-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO., INC. (US) | 2007-05-10 | — | — | WO | disclosed |