Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581771 | 0.82 | CTSS (0.51) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL10300269 | 0.82 | PTGS2 (0.62) | ENPP2PTGS2CA12CA2CA9 | |
| SCHEMBL7677302 | 0.82 | PTGS2 (0.62) | ENPP2PTGS2CA12CA2CA9 | |
| SCHEMBL4495549 | 0.81 | LMNA (0.48) | ENPP2PTGS2CA12CA1CA2 | |
| SCHEMBL11848750 | 0.81 | LMNA (0.48) | ENPP2PTGS2CA12CA1CA2 | |
| SCHEMBL22388840 | 0.81 | PTGS2 (0.55) | ENPP2PTGS2LMNA | |
| SCHEMBL13264889 | 0.78 | ENPP2 (0.54) | ENPP2PTGS2LMNATSHRMEN1 | |
| SCHEMBL1319533 | 0.78 | ENPP2 (0.54) | ENPP2PTGS2LMNATSHRMEN1 | |
| SCHEMBL31621803 | 0.78 | ENPP2 (0.41) | ENPP2PTGS2CA12CA1CA2 | |
| SCHEMBL31621823 | 0.77 | LMNA (0.48) | ENPP2PTGS2LMNATSHRKIF11 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406609-A2 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2004-04-14 | — | — | EP | claimed |
| EP-1406609-A4 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2004-04-14 | — | — | EP | claimed |
| WO-2002060378-A2 | SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2002-08-08 | — | — | WO | claimed |
| EP-1406609-A4 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2004-04-14 | — | — | EP | disclosed |
| EP-1406609-A2 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2002060378-A2 | SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2002-08-08 | — | — | WO | disclosed |