Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | CCR2 | P41597 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 4/20 | 0.39 |
| ▸ | TACR3 | P29371 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5022433 | 1.00 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRCASP1CTSS | |
| SCHEMBL16490908 | 0.78 | PSEN1 (0.45) | CYP3A4ALDH1A1TSHRCASP1CTSS | |
| SCHEMBL14876684 | 0.75 | PSEN1 (0.47) | CYP3A4ALDH1A1CTSSCTSKCNR2 | |
| SCHEMBL1360313 | 0.75 | PSEN1 (0.47) | CYP3A4ALDH1A1CTSSCTSKCNR2 | |
| SCHEMBL1360317 | 0.75 | PSEN1 (0.47) | CYP3A4ALDH1A1CTSSCTSKCNR2 | |
| SCHEMBL23476580 | 0.75 | PSEN1 (0.47) | CYP3A4ALDH1A1CTSSCTSKCNR2 | |
| SCHEMBL12863008 | 0.74 | CTSS (0.49) | CYP3A4ALDH1A1TSHRCTSSCTSK | |
| SCHEMBL5017869 | 0.73 | RIPK1 (0.41) | CYP3A4ALDH1A1OPRK1CNR2 | |
| SCHEMBL28334081 | 0.71 | CTSS (0.39) | CYP3A4ALDH1A1TSHRCASP1CTSS | |
| SCHEMBL5026437 | 0.70 | MAPT (0.49) | ALDH1A1CTSSCTSKMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1592684-B1 | MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-07-30 | — | — | EP | disclosed |
| US-7375099-B2 | secretase inhibitors; therapy for Alzheimer's disease | HOFFMANN-LA ROCHE INC. (US) | 2008-05-20 | — | — | US | disclosed |
| EP-1592684-A1 | MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-09 | — | — | EP | disclosed |
| US-20040220222-A1 | Malonamide derivatives | F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) | 2004-11-04 | — | — | US | disclosed |
| WO-2004069826-A1 | MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-19 | — | — | 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-20040220222-A1 | Malonamide derivatives | BACE1, BACE2, APP | CYP3A4 73/4885ALDH1A1 887/4885TSHR 3682/4885 |
“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.