Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | P4HB | P07237 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 2/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5723821 | 0.90 | PTGS2 (0.41) | PTGS2MEN1KMT2AP4HBCYP19A1 | |
| SCHEMBL5723125 | 0.85 | EDNRA (0.39) | PTGS2MEN1KMT2AP4HBPTGS1 | |
| SCHEMBL5723608 | 0.82 | PTGS2 (0.36) | PTGS2MEN1KMT2APTGS1GAA | |
| SCHEMBL5723347 | 0.81 | GAA (0.36) | PTGS2MEN1KMT2APTGS1GAA | |
| SCHEMBL5723365 | 0.81 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL5723681 | 0.81 | PTGS2 (0.34) | PTGS2MEN1KMT2AP4HBCYP19A1 | |
| SCHEMBL6139744 | 0.80 | GAA (0.41) | MEN1KMT2ACYP19A1GAAMAPT | |
| SCHEMBL6139589 | 0.79 | CYP1A2 (0.39) | KMT2AP4HBCYP19A1SMAD3MAPT | |
| SCHEMBL6724471 | 0.78 | PTGS2 (0.60) | PTGS2MEN1KMT2APTGS1MAPT | |
| SCHEMBL6139079 | 0.74 | EDNRA (0.36) | PTGS2MEN1KMT2AMAPTALDH1A1 |
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-B1 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-09-06 | — | — | EP | disclosed |
| US-20050059665-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2005-03-17 | — | — | US | disclosed |
| US-6825185-B2 | IMPROVING THE CARDIOVASCULAR PROFILE OF A COX-2 SELECTIVE INHIBITOR BY ADMINISTERING WITH 3-HYDROXY-3- METHYLGLUTARYL COENZYME A, AN ANTIPLATELET AGENT, A THROMBIN INHIBITOR OR A THROMBOXANE INHIBITOR | NITROMED, INC. | 2004-11-30 | — | — | US | disclosed |
| US-20040116431-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2004-06-17 | — | — | US | disclosed |
| US-6706724-B2 | ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT | NITROMED, INC. | 2004-03-16 | — | — | US | disclosed |
| US-20020119977-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications | NICOX S.A. (FR) | 2002-08-29 | — | — | 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 (2 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-20050059665-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGES, PTGER4, PTGS1 | PTGS2 4/4885MEN1 4538/4885KMT2A 2598/4885 |
| US-20020119977-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications | PTGS2, PTGES2, PTGES | PTGS2 1/4885MEN1 4707/4885KMT2A 2711/4885 |
“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.