Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 8/20 | 0.56 |
| ▸ | RXRB | P28702 | 8/20 | 0.56 |
| ▸ | RXRG | P48443 | 8/20 | 0.56 |
| ▸ | ILK | Q13418 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3865209 | 0.90 | ILK (0.52) | RXRARXRBRXRGILKCYP2C9 | |
| SCHEMBL3864045 | 0.85 | EPHX2 (0.61) | RXRARXRBRXRGCYP2C9ALOX5 | |
| SCHEMBL3870150 | 0.77 | RXRA (0.50) | RXRARXRBRXRGILKCYP2C9 | |
| SCHEMBL15560871 | 0.77 | RXRA (0.62) | RXRARXRBRXRGILKCYP2C9 | |
| SCHEMBL3870911 | 0.75 | PTGS2 (0.54) | CYP2C9PTGS2EPHX2PTGS1CHRNA7 | |
| SCHEMBL9519128 | 0.73 | PTGS2 (0.57) | RXRARXRBRXRGILKCYP2C9 | |
| SCHEMBL3865535 | 0.72 | CHRNA7 (0.49) | ILKCYP2C9ALOX5PTGS2EPHX2 | |
| SCHEMBL14728118 | 0.72 | RXRA (0.80) | RXRARXRBRXRGALOX5PTGS2 | |
| SCHEMBL15560693 | 0.72 | ILK (0.74) | RXRARXRBRXRGILKCYP2C9 | |
| SCHEMBL3869717 | 0.72 | CHRNA7 (0.48) | CYP2C9PTGS2EPHX2PTGS1CHRNA7 |
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 5 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 |
| US-20040053985-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. | 2004-03-18 | — | — | US | 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 | RXRA 4557/4885RXRB 4369/4885RXRG 4084/4885 |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | RXRA 4557/4885RXRB 4369/4885RXRG 4084/4885 |
| US-20090005350-A1 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | PTGS2, PTGIS, PTGES2 | RXRA 4557/4885RXRB 4369/4885RXRG 4084/4885 |
“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.