Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5723550 | 0.82 | PTGS2 (0.53) | PTGS2PTGS1KDM4EALDH1A1NPC1 | |
| SCHEMBL5723798 | 0.76 | PTGS2 (0.62) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL6139521 | 0.74 | PTGS2 (0.69) | PTGS2PTGS1LMNACA12CA2 | |
| SCHEMBL8654540 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL10073203 | 0.69 | PTGS2 (0.64) | PTGS2PTGS1ALDH1A1NPC1LMNA | |
| SCHEMBL6725632 | 0.68 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL18609553 | 0.67 | PTGS2 (0.67) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL7088302 | 0.67 | PTGS2 (0.55) | PTGS2PTGS1KDM4EALDH1A1LMNA | |
| SCHEMBL8094206 | 0.66 | PTGS2 (0.51) | PTGS2PTGS1KDM4EALDH1A1NPC1 | |
| SCHEMBL3836047 | 0.66 | PTGS2 (0.71) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1406609-B1 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-09-06 | — | — | EP | claimed |