Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722625 | 1.00 | PTGS2 (0.42) | PTGS2NFE2L2ERN1CYP1A2CES2 | |
| SCHEMBL20640946 | 0.85 | PTGS2 (0.40) | PTGS2NFE2L2ERN1CYP1A2CES2 | |
| SCHEMBL4090323 | 0.83 | NFE2L2 (0.62) | NFE2L2CYP1A2 | |
| SCHEMBL320615 | 0.83 | NFE2L2 (0.62) | NFE2L2CYP1A2 | |
| SCHEMBL14691573 | 0.81 | GAA (0.33) | PTPN1ALDH1A1CYP3A4RECQL | |
| SCHEMBL2093976 | 0.80 | PTGS2 (0.42) | PTGS2NFE2L2ERN1CES2BCHE | |
| SCHEMBL2093977 | 0.80 | PTGS2 (0.42) | PTGS2NFE2L2ERN1CES2BCHE | |
| SCHEMBL9723201 | 0.80 | PTGS2 (0.42) | PTGS2NFE2L2ERN1CES2BCHE | |
| SCHEMBL9419293 | 0.80 | PTGS2 (0.42) | PTGS2NFE2L2ERN1CES2BCHE | |
| SCHEMBL2094664 | 0.78 | ERN1 (0.41) | PTGS2NFE2L2ERN1CES2BCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010144293-A1 | SYNTHESIS OF TELCAGEPANT AND INTERMEDIATES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010144293-A1 | SYNTHESIS OF TELCAGEPANT AND INTERMEDIATES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2010-12-16 | — | — | WO | disclosed |
| EP-2091933-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | Wyeth (US) | 2009-08-26 | — | — | EP | disclosed |
| US-20080153873-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-26 | — | — | US | disclosed |
| WO-2008073943-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-19 | — | — | 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-20080153873-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | DBH, SLC6A3, SLC6A4 | PTGS2 1902/4885NFE2L2 508/4885ERN1 3781/4885 |
“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.