Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR | Q92847 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6438782 | 0.77 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL6441084 | 0.76 | PTGS2 (0.39) | GHSRPTGS2ALDH1A1LMNAMAPK1 | |
| SCHEMBL6441194 | 0.74 | PTGS2 (0.46) | GHSRPTGS2PTGS1 | |
| SCHEMBL6444404 | 0.74 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL3865463 | 0.73 | ESR2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL4958867 | 0.71 | PTGS2 (0.46) | PTGS2PTGS1MAPK8 | |
| SCHEMBL3867622 | 0.71 | CA9 (0.54) | PTGS2PTGS1 | |
| SCHEMBL6470454 | 0.71 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL6441923 | 0.71 | GHSR (0.42) | GHSRPTGS2PTGS1 | |
| SCHEMBL6620051 | 0.70 | PTGS2 (0.55) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534683-A4 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1534683-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | WO | disclosed |