Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6268028 | 0.84 | CYP2C9 (0.54) | PTGS2RAB9AKDM4ENPC1ALDH1A1 | |
| SCHEMBL23928668 | 0.79 | CA12 (0.80) | CA12CA9KDM4EALDH1A1TP53 | |
| SCHEMBL11762309 | 0.79 | AURKA (0.55) | PTGS2RAB9AKDM4ENPC1TP53 | |
| Hydrochloric Acid SCHEMBL11763658 | 0.78 | AURKA (0.54) | PTGS2RAB9AKDM4ENPC1TP53 | |
| SCHEMBL16578385 | 0.75 | CA12 (0.53) | CA12CA9PTGS2PTGS1RAB9A | |
| SCHEMBL11074786 | 0.73 | KDM4E (0.52) | PTGS2RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL23928616 | 0.73 | MAPT (0.77) | CA12CA9ALDH1A1MAPTMAPK1 | |
| SCHEMBL23928490 | 0.71 | PTGS2 (0.77) | CA12CA9PTGS2RAB9AKDM4E | |
| SCHEMBL22095314 | 0.71 | AURKA (0.76) | CA12CA9RAB9AKDM4EALDH1A1 | |
| SCHEMBL4302959 | 0.70 | CYP2C9 (0.56) | RAB9AKDM4ENPC1ALDH1A1TP53 |
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 | CA12 3756/4885CA9 2264/4885PTGS2 1/4885 |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | CA12 3756/4885CA9 2264/4885PTGS2 1/4885 |
| US-20090005350-A1 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | PTGS2, PTGIS, PTGES2 | CA12 3756/4885CA9 2264/4885PTGS2 1/4885 |
“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.