Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | FABP3 | P05413 | 3/20 | 0.34 |
| ▸ | FABP4 | P15090 | 3/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.31 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.31 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3866153 | 0.83 | PTGS2 (0.46) | PTGS2KCNH2FABP3FABP4NR1H4 | |
| SCHEMBL4588208 | 0.83 | PTGS2 (0.74) | PTGS2KCNH2FABP3FABP4 | |
| SCHEMBL4588201 | 0.83 | PTGS2 (0.74) | PTGS2KCNH2FABP3FABP4 | |
| SCHEMBL4961385 | 0.83 | PTGS2 (0.36) | PTGS2NR1H4 | |
| SCHEMBL3980093 | 0.82 | PTGS2 (0.44) | PTGS2KCNH2FABP3FABP4DRD2 | |
| SCHEMBL3865958 | 0.80 | PTGS2 (0.49) | PTGS2KCNH2FABP3FABP4 | |
| SCHEMBL3876626 | 0.80 | PTGS2 (0.49) | PTGS2KCNH2FABP3FABP4 | |
| SCHEMBL3867900 | 0.80 | PTGS2 (0.47) | PTGS2KCNH2FABP3FABP4KCNJ6 | |
| SCHEMBL3866503 | 0.74 | PTGS2 (0.39) | PTGS2KCNH2FABP3FABP4KCNJ6 | |
| SCHEMBL3868902 | 0.73 | PTGS2 (0.41) | PTGS2KCNJ6KCNJ3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090005350-A1 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2009-01-01 | — | — | US | disclosed |
| US-7442802-B2 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2008-10-28 | — | — | US | disclosed |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2006-08-31 | — | — | US | disclosed |
| US-7087630-B2 | Cyclooxygenase 2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2006-08-08 | — | — | US | disclosed |
| 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 |
| US-20040053985-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. | 2004-03-18 | — | — | US | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | 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 (3 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-20040053985-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | PTGS2 1/4885KCNH2 2571/4885FABP3 188/4885 |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | PTGS2 1/4885KCNH2 2571/4885FABP3 188/4885 |
| US-20090005350-A1 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | PTGS2, PTGIS, PTGES2 | PTGS2 1/4885KCNH2 2571/4885FABP3 188/4885 |
“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.