Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 13/20 | 0.52 |
| ▸ | CTSD | P07339 | 11/20 | 0.52 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5130491 | 0.96 | BACE1 (0.49) | BACE1CTSDTSPOTAAR1BCHE | |
| SCHEMBL5120493 | 0.95 | BACE1 (0.48) | BACE1CTSDTSPOTAAR1BCHE | |
| SCHEMBL5130463 | 0.94 | BACE1 (0.51) | BACE1CTSDTAS2R14 | |
| SCHEMBL5129862 | 0.94 | BACE1 (0.47) | BACE1CTSD | |
| SCHEMBL5117203 | 0.94 | BACE1 (0.48) | BACE1CTSDTSPOBCHEACHE | |
| SCHEMBL5130452 | 0.94 | BACE1 (0.50) | BACE1CTSDTAS2R14 | |
| SCHEMBL5124635 | 0.94 | BACE1 (0.54) | BACE1CTSDTAS2R14 | |
| SCHEMBL5117570 | 0.93 | CTSD (0.47) | BACE1CTSD | |
| SCHEMBL5120169 | 0.92 | BACE1 (0.46) | BACE1CTSDTAS2R14 | |
| SCHEMBL5118540 | 0.91 | BACE1 (0.48) | BACE1CTSDTSPO |
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 1/4885CTSD 100/4885TSPO 3477/4885 |
“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.