Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6160186 | 0.72 | TAAR1 (0.41) | MAOB | |
| SCHEMBL5719027 | 0.71 | IRAK4 (0.38) | HTR7IRAK4 | |
| SCHEMBL5871994 | 0.70 | MME (0.37) | — | |
| SCHEMBL14279059 | 0.70 | GABRA1 (0.38) | SIRT2HTR7IRAK4KDM1AMAOA | |
| SCHEMBL9185293 | 0.69 | TRPA1 (0.40) | MAOA | |
| SCHEMBL30401571 | 0.67 | NOS2 (0.41) | SIRT2HTR7IRAK4KDM1AMAOA | |
| SCHEMBL1249740 | 0.67 | NOS2 (0.41) | SIRT2HTR7IRAK4KDM1AMAOA | |
| SCHEMBL17441533 | 0.67 | NOS3 (0.40) | SIRT2HTR7IRAK4KDM1AMAOA | |
| SCHEMBL20392411 | 0.67 | SIRT2 (0.36) | SIRT2HTR7IRAK4KDM1AMAOA | |
| SCHEMBL9602863 | 0.67 | CYP3A4 (0.40) | — |
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-1442036-A2 | HETEROARYL DERIVATIVES AS SUPERIOR LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 | SCHERING CORPORATION (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003039469-A2 | HETEROARYL DERIVATIVES AS SUPERIOR LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 | SCHERING CORPORATION (US) | 2003-05-15 | — | — | WO | disclosed |