Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL769096 | 0.77 | ENPP2 (0.37) | ENPP2 | |
| SCHEMBL15487989 | 0.72 | CYP11B1 (0.40) | SIRT2ENPP2 | |
| SCHEMBL26643915 | 0.70 | SIRT2 (0.35) | SIRT2ENPP2 | |
| SCHEMBL731222 | 0.69 | PGR (0.43) | ENPP2DRD4 | |
| SCHEMBL31646062 | 0.68 | ENPP2 (0.34) | SIRT2ENPP2 | |
| SCHEMBL1375313 | 0.68 | HSD11B1 (0.36) | SIRT2ENPP2 | |
| SCHEMBL7784539 | 0.67 | CYP11B1 (0.40) | SIRT2ENPP2DRD4 | |
| SCHEMBL7786406 | 0.67 | CYP11B1 (0.40) | SIRT2ENPP2DRD4 | |
| SCHEMBL29222693 | 0.67 | MAP3K14 (0.38) | ENPP2 | |
| SCHEMBL7787709 | 0.67 | CYP11B1 (0.37) | SIRT2ENPP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6313309-B1 | BENZOTHIOPHENYL-1H-IMIDAZOLE ANALGESICS; HYPOTENSIVE AGENTS, ANTIDEPRESSANTS; SEXUAL, ATTENTION DEFICIT, AND HYPERACTIVE DISORDERS; DELTA-OPIOD RECEPTOR AGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-11-06 | — | — | US | disclosed |
| WO-1999051593-A1 | 4-THIONAPHTHYL-1H-IMIDAZOLES WITH ALPHA-2-ADRENERGIC ACTIVITY | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 1999-10-14 | — | — | WO | disclosed |