Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 11/20 | 0.36 |
| ▸ | CTSD | P07339 | 3/20 | 0.36 |
| ▸ | CTSB | P07858 | 4/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5124821 | 0.82 | BACE1 (0.39) | BACE1CTSDCTSBTSPOBACE2 | |
| SCHEMBL5130898 | 0.81 | BACE1 (0.40) | BACE1CTSDCTSBGRIN2DGRIN3B | |
| SCHEMBL5120509 | 0.80 | SLC2A1 (0.40) | BACE1CTSDCTSBTSPOBACE2 | |
| SCHEMBL5579820 | 0.80 | BACE1 (0.41) | BACE1CTSDCTSBTSPOGRIN2D | |
| SCHEMBL5130733 | 0.79 | AOC3 (0.41) | BACE1CTSD | |
| SCHEMBL5126973 | 0.79 | BACE1 (0.41) | BACE1CTSDCTSBTSPOBACE2 | |
| SCHEMBL5127726 | 0.79 | BACE1 (0.40) | BACE1CTSDCTSB | |
| SCHEMBL5130885 | 0.78 | BACE1 (0.36) | BACE1CTSDCTSBTSPOGRIN2D | |
| SCHEMBL5130750 | 0.78 | BACE1 (0.40) | BACE1CTSDCTSB | |
| SCHEMBL5126285 | 0.78 | BACE1 (0.44) | BACE1CTSDCTSBBACE2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | claimed |
| 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 100/4885CTSB 61/4885 |
“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.