Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7592378 | 0.89 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL7536004 | 0.89 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL7534850 | 0.88 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL7686776 | 0.87 | ALOX5AP (0.39) | PTGS2PTGS1 | |
| SCHEMBL7671604 | 0.82 | ALDH1A1 (0.35) | PTGS2PTGS1ALDH1A1CYP3A4LMNA | |
| SCHEMBL6622930 | 0.81 | PTGS2 (0.46) | PTGS2PTGS1 | |
| SCHEMBL7674454 | 0.80 | PTGS2 (0.40) | PTGS2PTGS1 | |
| SCHEMBL7673215 | 0.78 | PTGS2 (0.41) | PTGS2PTGS1 | |
| SCHEMBL7670052 | 0.78 | PTGS2 (0.43) | PTGS2PTGS1 | |
| SCHEMBL7670565 | 0.72 | PTGS2 (0.52) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6472416-B1 | Sulfonylphenylpyrazole compounds useful as COX-2 inhibitors | ABBOTT LABORATORIES | 2002-10-29 | — | — | US | disclosed |