Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3734292 | 1.00 | BACE1 (0.69) | BACE1ALDH1A1POLBRAB9ALMNA | |
| SCHEMBL15998560 | 0.90 | BACE1 (0.66) | BACE1ALDH1A1POLBRAB9ALMNA | |
| SCHEMBL3742284 | 0.90 | BACE1 (0.66) | BACE1ALDH1A1POLBRAB9ALMNA | |
| SCHEMBL3742285 | 0.90 | BACE1 (0.66) | BACE1ALDH1A1POLBRAB9ALMNA | |
| SCHEMBL3731222 | 0.86 | BACE1 (0.61) | BACE1ALDH1A1POLBRAB9ALMNA | |
| SCHEMBL3729031 | 0.82 | BACE1 (1.00) | BACE1ALDH1A1POLBCCR5ADAM10 | |
| SCHEMBL14556184 | 0.77 | BACE1 (0.59) | BACE1SIGMAR1 | |
| SCHEMBL3731194 | 0.77 | BACE1 (0.59) | BACE1SIGMAR1 | |
| SCHEMBL4229205 | 0.77 | BACE1 (0.59) | BACE1SIGMAR1 | |
| SCHEMBL3730868 | 0.76 | BACE1 (0.80) | BACE1CCR5TLR9TLR8TLR7 |
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 1/4885ALDH1A1 1360/4885POLB 380/4885 |
“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.