Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | WEE1 | P30291 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5775335 | 0.83 | GSK3B (0.38) | ALDH1A1KMT2AMEN1HTTL3MBTL1 | |
| SCHEMBL5904269 | 0.77 | NPSR1 (0.49) | KMT2AMEN1HTTMAPTGAA | |
| SCHEMBL6069906 | 0.75 | PTGS2 (0.63) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL5774670 | 0.75 | PTGS2 (0.64) | PTGS2PTGS1CHRNA7ABCC4ABCB11 | |
| SCHEMBL28631630 | 0.75 | MAP4K4 (0.47) | PTGS2PTGS1CHRNA7 | |
| SCHEMBL4027051 | 0.73 | PTGS2 (0.66) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL5772476 | 0.71 | SLC6A4 (0.46) | — | |
| SCHEMBL28147339 | 0.71 | FFAR4 (0.37) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL5989061 | 0.70 | CYP2A6 (0.50) | ALDH1A1L3MBTL1KDM4EPTGS2PTGS1 | |
| SCHEMBL8802559 | 0.69 | ALOX5 (0.42) | ALDH1A1KMT2AMEN1HTTL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104788362-A | Preparation method of etoricoxib or pharmaceutically acceptable salts thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-22 | — | — | CN | disclosed |
| US-20060229338-A1 | 2,3'-bipyridines derivatives as selective cox-2 inhibitors | LABORATORIOS ALMIRALL, S.A. (ES) | 2006-10-12 | — | — | US | disclosed |
| EP-1592666-A1 | 2,3 -BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS | Almirall Prodesfarma, S.A. (ES) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004072037-A1 | 2,3'-BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS | ALMIRALL PRODESFARMA S.A. (ES) | 2004-08-26 | — | — | 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-20060229338-A1 | 2,3'-bipyridines derivatives as selective cox-2 inhibitors | PTGS2, PTGES2, PTGER2 | ALDH1A1 407/4885KMT2A 3501/4885MEN1 4725/4885 |
“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.