Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15304448 | 0.89 | CYP3A4 (0.43) | CYP3A4CYP2D6SMN1; SMN2TAAR1SLC6A2 | |
| SCHEMBL2628499 | 0.89 | CYP3A4 (0.43) | CYP3A4CYP2D6SMN1; SMN2TAAR1SLC6A2 | |
| SCHEMBL1797388 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP2D6SMN1; SMN2TAAR1SLC6A2 | |
| SCHEMBL1799808 | 0.83 | KDM4C (0.38) | SMN1; SMN2NPSR1MEN1KMT2AALDH1A1 | |
| SCHEMBL12015403 | 0.82 | CYP3A4 (0.52) | CYP3A4CYP2D6SMN1; SMN2TAAR1SLC6A2 | |
| SCHEMBL1797387 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2D6SMN1; SMN2TAAR1SLC6A2 | |
| SCHEMBL3577732 | 0.79 | CTSS (0.42) | NPSR1ALDH1A1 | |
| SCHEMBL2079320 | 0.79 | CTSB (0.42) | — | |
| SCHEMBL2079240 | 0.77 | BACE1 (0.34) | MEN1KMT2AALDH1A1 | |
| SCHEMBL5139796 | 0.77 | BACE1 (0.34) | MEN1KMT2AALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8552181-B2 | Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2013-10-08 | — | — | US | disclosed |
| US-20120220583-A1 | SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2012-08-30 | — | — | US | disclosed |
| US-8163909-B2 | Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-7951838-B2 | Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use | AMGEN INC. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20100317668-A1 | SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2010-12-16 | — | — | US | disclosed |
| US-20090275602-A1 | Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use | AMGEN INC. (US) | 2009-11-05 | — | — | US | disclosed |
| WO-2009064418-A1 | SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2009-05-22 | — | — | WO | disclosed |
| WO-2008147547-A1 | SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2008-12-04 | — | — | 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 (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-20090275602-A1 | Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use | BACE1, BACE2, APP | CYP3A4 806/4885CYP2D6 673/4885SMN1; SMN2 1666/4885 |
| US-20100317668-A1 | SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | BACE1, APP, BACE2 | CYP3A4 788/4885CYP2D6 764/4885SMN1; SMN2 1407/4885 |
| US-20120220583-A1 | SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | BACE1, BACE2, APP | CYP3A4 1411/4885CYP2D6 1388/4885SMN1; SMN2 1494/4885 |
“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.