Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 13/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.51 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8333022 | 0.80 | PTGS1 (0.56) | PTGS2PTGS1HTTGCGR | |
| SCHEMBL4614322 | 0.80 | CES2 (0.42) | PTGS1 | |
| SCHEMBL8442546 | 0.78 | MAPK14 (0.49) | MAPK14PTGS2PTGS1NR3C2HTT | |
| SCHEMBL11323370 | 0.78 | CES2 (0.40) | PTGS1 | |
| SCHEMBL161234 | 0.78 | CES2 (0.40) | PTGS1 | |
| Ammonia Solution, Strong SCHEMBL4615643 | 0.78 | CES2 (0.40) | PTGS1 | |
| SCHEMBL8389316 | 0.72 | MAPK14 (0.64) | MAPK14PTGS2PTGS1NR3C2HTT | |
| SCHEMBL8266062 | 0.71 | MAPK14 (0.62) | MAPK14PTGS2PTGS1 | |
| SCHEMBL5694270 | 0.71 | MAPK14 (0.62) | MAPK14PTGS2PTGS1NR3C2HTT | |
| SCHEMBL10606718 | 0.71 | ESR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004054575-A1 | COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS | NOVARTIS AG (CH) | 2004-07-01 | — | — | WO | disclosed |