Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 1.00 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 1.00 |
| ▸ | CTSD | P07339 | 3/20 | 0.85 |
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 | |
|---|---|---|---|---|
| SCHEMBL13334074 | 1.00 | BACE1 (1.00) | BACE1BACE2CTSD | |
| SCHEMBL13306204 | 1.00 | BACE1 (1.00) | BACE1BACE2CTSD | |
| SCHEMBL3902727 | 0.95 | BACE1 (0.91) | BACE1BACE2CTSD | |
| SCHEMBL5350125 | 0.94 | BACE1 (0.90) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3353812 | 0.94 | BACE1 (0.88) | BACE1BACE2CTSD | |
| SCHEMBL3356543 | 0.94 | BACE1 (0.88) | BACE1BACE2CTSD | |
| SCHEMBL7613401 | 0.94 | BACE1 (0.88) | BACE1BACE2CTSD | |
| SCHEMBL3356954 | 0.94 | BACE1 (0.91) | BACE1BACE2CTSD | |
| SCHEMBL13333710 | 0.93 | BACE1 (0.89) | BACE1BACE2CTSD | |
| SCHEMBL3350197 | 0.93 | BACE1 (0.89) | BACE1BACE2CTSD |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7806980-B2 | Method for crystallizing human beta secretase in complex with an inhibitor | ELAN PHARMACEUTICALS, INC. (US) | 2010-10-05 | — | — | US | claimed |
| US-7601528-B1 | Crystal of beta secretase co-crystallized with ligand N1-((2S,3R)-4-(3-iodobenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-diamide; use in drug design | ELAN PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | claimed |
| US-7384773-B1 | Crystal of HIV protease-cleaved human beta secretase and method for crystallization thereof | PFIZER INC (US) | 2008-06-10 | — | — | US | claimed |
| US-20070213407-A1 | Compounds to treat Alzheimer's disease | ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC | 2007-09-13 | — | — | US | claimed |
| US-7214715-B2 | Compounds to treat Alzheimer's disease | PHARMACIA & UPJOHN (US) | 2007-05-08 | — | — | US | claimed |
| US-20020128255-A1 | Compounds to treat alzheimer's disease | PHARMACIA & UPJOHN COMPANY | 2002-09-12 | — | — | US | claimed |
| US-7816114-B2 | Methods of using crystals of beta amyloid cleaving enzyme (BACE) | ELAN PHARMACEUTICALS, INC. (US) | 2010-10-19 | — | — | US | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-7601528-B1 | Crystal of beta secretase co-crystallized with ligand N1-((2S,3R)-4-(3-iodobenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-diamide; use in drug design | ELAN PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | disclosed |
| US-20090170128-A1 | Crystallization and Structure Determination of BACE and/or BACE-Like Proteins | ELAN PHARMACEUTICALS, INC. | 2009-07-02 | — | — | US | disclosed |
| US-20090125289-A1 | Crystallization and structure determination of glycosylated human beta secretase, an enzyme implicated in alzheimer's disease | PFIZER INC | 2009-05-14 | — | — | US | disclosed |
| US-7214715-B2 | Compounds to treat Alzheimer's disease | PHARMACIA & UPJOHN (US) | 2007-05-08 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20060106256-A1 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY | 2006-05-18 | — | — | US | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |
| US-20020128255-A1 | Compounds to treat alzheimer's disease | PHARMACIA & UPJOHN COMPANY | 2002-09-12 | — | — | 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 (4 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-20020128255-A1 | Compounds to treat alzheimer's disease | PSEN2, PSEN1, APP | BACE1 4/4885BACE2 9/4885CTSD 2080/4885 |
| US-20070213407-A1 | Compounds to treat Alzheimer's disease | PSEN2, PSEN1, CHAT | BACE1 7/4885BACE2 11/4885CTSD 1351/4885 |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | BACE1 1/4885BACE2 2/4885CTSD 249/4885 |
| US-20060106256-A1 | Substituted hydroxyethylamines | HNMT, PNMT, BCHE | BACE1 26/4885BACE2 27/4885CTSD 1109/4885 |
“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.