Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | CA1 | P00915 | 2/20 | 0.70 |
| ▸ | CA2 | P00918 | 2/20 | 0.70 |
| ▸ | CA4 | P22748 | 2/20 | 0.70 |
| ▸ | CA6 | P23280 | 2/20 | 0.70 |
| ▸ | CA7 | P43166 | 2/20 | 0.70 |
| ▸ | CA9 | Q16790 | 2/20 | 0.70 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.70 |
| ▸ | CA12 | O43570 | 1/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.70 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3365457 | 1.00 | ALDH1A1 (0.70) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL1777398 | 1.00 | ALDH1A1 (0.70) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL9031939 | 0.88 | MAPK1 (0.70) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL19793283 | 0.88 | MAPK1 (0.70) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL6271004 | 0.87 | ALDH1A1 (0.76) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL1209042 | 0.87 | CA1 (0.68) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL6265330 | 0.87 | ALDH1A1 (0.70) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL2215736 | 0.87 | ALDH1A1 (0.68) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL892079 | 0.87 | ALDH1A1 (0.67) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL3365950 | 0.86 | ALDH1A1 (0.74) | ALDH1A1CA1CA2CA4CA6 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542970-B1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-06-30 | — | — | EP | disclosed |
| EP-1542969-B1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-03-03 | — | — | EP | disclosed |
| US-20070032542-A1 | Process for the preparation of enantiopure pyrrolidin-2-one derivatives | IDING HANS | 2007-02-08 | — | — | US | disclosed |
| US-7151111-B2 | 4-pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-12-19 | — | — | US | disclosed |
| US-7148362-B2 | Process for the preparation of enantiopure pyrrolidin-2-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-12-12 | — | — | US | disclosed |
| US-7122562-B2 | 4-pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-17 | — | — | US | disclosed |
| US-20060122235-A1 | Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide | IDING HANS | 2006-06-08 | — | — | US | disclosed |
| EP-1664323-A1 | ENZYMATIC SYNTHESIS OF ENATIOPURE INTERMEDIATES BY MEANS OF CHOLESTEROLESTERASE FROM YEASTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-07 | — | — | EP | disclosed |
| US-7037935-B2 | 4-Pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-05-02 | — | — | US | disclosed |
| EP-1542970-A1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-06-22 | — | — | EP | disclosed |
| US-20050065204-A1 | Process for the preparation of enantiopure pyrrolidin-2-one derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-24 | — | — | US | disclosed |
| WO-2005026373-A1 | ENZYMATIC SYNTHESIS OF ENATIOPURE INTERMEDIATES BY MEANS OF CHOLESTEROLESTERASE FROM YEASTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-24 | — | — | WO | disclosed |
| US-20040116707-A1 | 4-Pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040106650-A1 | 4-Pyrrolidino-phenyl-benzyl ether derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-03 | — | — | US | disclosed |
| WO-2004026825-A1 | PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-04-01 | — | — | 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 (4 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-20040106650-A1 | 4-Pyrrolidino-phenyl-benzyl ether derivatives | MAOB, MAOA, COMT | ALDH1A1 556/4885CA1 3797/4885CA2 4715/4885 |
| US-20060122235-A1 | Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide | MAOA, MAOB, PNPO | ALDH1A1 385/4885CA1 3194/4885CA2 4120/4885 |
| US-20050065204-A1 | Process for the preparation of enantiopure pyrrolidin-2-one derivatives | MAOB, MAOA, CYP1B1 | ALDH1A1 249/4885CA1 4459/4885CA2 4203/4885 |
| US-20070032542-A1 | Process for the preparation of enantiopure pyrrolidin-2-one derivatives | MAOB, MAOA, CYP1B1 | ALDH1A1 249/4885CA1 4459/4885CA2 4203/4885 |
“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.