Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.47 |
| ▸ | F2 | P00734 | 6/20 | 0.46 |
| ▸ | F10 | P00742 | 5/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28044957 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KCNA5F2F10PRSS1 | |
| SCHEMBL7995142 | 0.88 | ALDH1A1 (0.67) | ALDH1A1KCNA5KMT2AFNTAFNTB | |
| SCHEMBL27323723 | 0.87 | ALDH1A1 (0.55) | ALDH1A1KCNA5F2F10PRSS1 | |
| SCHEMBL13136720 | 0.85 | ALDH1A1 (0.54) | ALDH1A1KCNA5F2F10PRSS1 | |
| SCHEMBL8265702 | 0.85 | ALDH1A1 (0.54) | ALDH1A1KCNA5F2F10PRSS1 | |
| SCHEMBL9424092 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KCNA5F2F10PRSS1 | |
| SCHEMBL6579159 | 0.84 | HTT (0.54) | ALDH1A1F2F10PRSS1KMT2A | |
| SCHEMBL14691320 | 0.83 | F2 (0.50) | ALDH1A1F2F10PRSS1KMT2A | |
| SCHEMBL12268202 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KCNA5KMT2AFNTAFNTB | |
| SCHEMBL22303151 | 0.83 | ALDH1A1 (0.57) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7951949-B2 | Macrocyclic aminopyridyl beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20080015213-A1 | Macrocyclic Aminopyridyl Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2008-01-17 | — | — | US | disclosed |
| CN-101061119-A | Macrocyclic aminopyridyl beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK & CO INC (US) | 2007-10-24 | — | — | CN | disclosed |
| EP-1817312-A1 | MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006057983-A1 | MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-06-01 | — | — | 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 (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-20080015213-A1 | Macrocyclic Aminopyridyl Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease | BACE1, BACE2, APP | ALDH1A1 2705/4885KCNA5 3590/4885F2 1827/4885 |
“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.