Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.34 |
| ▸ | HTR2B | P41595 | 4/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13041181 | 0.86 | PDE5A (0.42) | PDE5ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13671200 | 0.81 | MEN1 (0.42) | SLC6A2SLC6A4HDAC4SLC6A3ALDH1A1 | |
| SCHEMBL13041171 | 0.81 | MEN1 (0.42) | SLC6A2SLC6A4HDAC4SLC6A3ALDH1A1 | |
| SCHEMBL13041185 | 0.77 | BACE1 (0.66) | BACE1ALDH1A1LMNAMAPK1 | |
| SCHEMBL4126357 | 0.73 | KDM1A (0.52) | BACE1KDM1AHTR2CHTR2BFABP5 | |
| SCHEMBL3476313 | 0.73 | KDM1A (0.52) | BACE1KDM1AHTR2CHTR2BFABP5 | |
| SCHEMBL30681455 | 0.73 | KDM1A (0.52) | BACE1KDM1AHTR2CHTR2BFABP5 | |
| SCHEMBL13742600 | 0.73 | KDM1A (0.52) | BACE1KDM1AHTR2CHTR2BFABP5 | |
| SCHEMBL14371524 | 0.72 | SLC6A2 (0.49) | BACE1SLC6A2SLC6A4SLC6A3HTT | |
| SCHEMBL12592372 | 0.72 | SLC6A2 (0.49) | BACE1SLC6A2SLC6A4SLC6A3HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354545-B2 | 3,4-substituted pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2010-11-04 | — | — | US | 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-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | BACE1, BACE2, PSEN1 | BACE1 1/4885BRD4 361/4885KDM1A 1506/4885 |
“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.