Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.45 |
| ▸ | CTSB | P07858 | 16/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 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 | |
|---|---|---|---|---|
| SCHEMBL5122664 | 0.90 | BACE1 (0.44) | BACE1CTSB | |
| SCHEMBL5124632 | 0.90 | BACE1 (0.55) | BACE1CTSB | |
| Trifluoroacetic Acid SCHEMBL5126515 | 0.89 | BACE1 (0.49) | BACE1CTSBBACE2ALDH1A1 | |
| SCHEMBL5124339 | 0.85 | CTSB (0.40) | BACE1CTSB | |
| SCHEMBL5129706 | 0.82 | BACE1 (0.54) | BACE1CTSBBACE2 | |
| SCHEMBL5129702 | 0.82 | BACE1 (0.54) | BACE1CTSBBACE2 | |
| Trifluoroacetic Acid SCHEMBL5121101 | 0.81 | BACE1 (0.57) | BACE1CTSB | |
| SCHEMBL14131268 | 0.80 | BACE1 (0.58) | BACE1CTSB | |
| Trifluoroacetic Acid SCHEMBL5579646 | 0.79 | BACE1 (0.48) | BACE1CTSB | |
| Trifluoroacetic Acid SCHEMBL5122660 | 0.79 | BACE1 (0.48) | BACE1CTSB |
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-20080161325-A1 | e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome | ELAN PHARMACEUTICALS, INC. | 2008-07-03 | — | — | US | disclosed |
| US-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | 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-20080161325-A1 | e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome | BACE1, APP, BACE2 | BACE1 1/4885CTSB 61/4885BACE2 3/4885 |
“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.