Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17917317 | 0.88 | PTGS2 (0.67) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| 5-Hydroxy Rofecoxib SCHEMBL6331980 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6672818 | 0.81 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL21675747 | 0.81 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6598211 | 0.80 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL21675748 | 0.80 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL22330629 | 0.76 | PTGS2 (0.52) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6676482 | 0.74 | PTGS2 (0.63) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6676479 | 0.73 | PTGS2 (0.62) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6604670 | 0.72 | PTGS2 (0.80) | PTGS2PTGS1 |
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-6222048-B1 | AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION | MERCK FROSST CANADA & CO. (CA) | 2001-04-24 | — | — | US | disclosed |
| WO-1996019469-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-06-27 | — | — | WO | disclosed |