Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 0.84 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.84 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.61 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL7209645 | 0.86 | PTGS2 (0.71) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL28146262 | 0.83 | PTGS2 (0.69) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL15730118 | 0.80 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL790509 | 0.77 | PTGS2 (0.75) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL4891339 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL4889545 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL8483738 | 0.76 | PTGS2 (0.81) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL14163961 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL4680 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL29366203 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014176460-A1 | METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS | CHAU DAVID T (US) | 2014-10-30 | — | — | WO | disclosed |
| US-8486922-B2 | Composition | CHEN CHIEN-HUNG (TW) | 2013-07-16 | — | — | US | disclosed |
| US-20120183600-A1 | NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS | CHEN CHIEN-HUNG (US) | 2012-07-19 | — | — | US | disclosed |
| US-20110281829-A1 | NOVEL COMPOSITION | IPINTL, LLC (US) | 2011-11-17 | — | — | US | disclosed |