Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.66 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.66 |
| ▸ | PPARG | P37231 | 1/20 | 0.66 |
| ▸ | TTR | P02766 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.41 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150882 | 0.87 | PTGS2 (0.59) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL13688513 | 0.85 | PTGS2 (0.66) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL5534966 | 0.85 | PTGS2 (0.79) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL3885542 | 0.82 | PTGS2 (0.73) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL15267399 | 0.82 | PTGS2 (0.65) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL13688515 | 0.81 | PTGS2 (0.70) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL3869987 | 0.81 | PTGS2 (0.66) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL2886958 | 0.81 | PTGS2 (0.66) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL17208147 | 0.80 | PTGS2 (0.79) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL5533958 | 0.80 | PTGS2 (0.82) | PTGS2PTGS1ABCB11NR1I3PPARG |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539134-A4 | NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2007-04-11 | — | — | EP | claimed |
| EP-1539134-A2 | NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | claimed |
| US-20040072899-A1 | Nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | NICOX S.A. (FR) | 2004-04-15 | — | — | US | claimed |
| WO-2003103602-A2 | NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2003-12-18 | — | — | WO | claimed |
| US-7220749-B2 | Nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-05-22 | — | — | US | disclosed |
| EP-1539134-A4 | NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2007-04-11 | — | — | EP | disclosed |
| EP-1539134-A2 | NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20040072899-A1 | Nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | NICOX S.A. (FR) | 2004-04-15 | — | — | US | disclosed |
| WO-2003103602-A2 | NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2003-12-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040072899-A1 | Nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | NOS2, PTGS2, PTGIS | PTGS2 2/4885PTGS1 6/4885ABCB11 3887/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.