Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 7/20 | 0.48 |
| ▸ | BACE1 | P56817 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5127636 | 1.00 | CTSD (0.48) | CTSDBACE1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5126399 | 0.91 | BACE1 (0.56) | CTSDBACE1 | |
| SCHEMBL5126391 | 0.91 | BACE1 (0.56) | CTSDBACE1 | |
| SCHEMBL5124526 | 0.87 | BACE1 (0.48) | CTSDBACE1CA12CA9CA1 | |
| SCHEMBL5124518 | 0.87 | BACE1 (0.48) | CTSDBACE1CA12CA9CA1 | |
| SCHEMBL5124104 | 0.86 | BACE1 (0.61) | CTSDBACE1 | |
| SCHEMBL5124095 | 0.86 | BACE1 (0.61) | CTSDBACE1 | |
| SCHEMBL5120909 | 0.84 | BACE1 (0.44) | CTSDBACE1 | |
| SCHEMBL5120897 | 0.84 | BACE1 (0.44) | CTSDBACE1 | |
| Hydrochloric Acid SCHEMBL5119200 | 0.83 | BACE1 (0.61) | CTSDBACE1 |
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-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 | 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 | CTSD 100/4885BACE1 1/4885CYP1A2 2519/4885 |
“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.