Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.42 |
| ▸ | GLRB | P48167 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6172352 | 0.99 | BACE1 (0.44) | BACE1GLRA3GLRBLTA4HHPGD | |
| SCHEMBL3354907 | 0.95 | BACE1 (0.42) | BACE1GLRA3GLRBLTA4HHPGD | |
| SCHEMBL14508444 | 0.90 | BACE1 (0.44) | BACE1GLRA3GLRBLTA4HHPGD | |
| SCHEMBL3348971 | 0.89 | GLRA3 (0.41) | BACE1GLRA3GLRBLTA4HHCAR3 | |
| SCHEMBL3349813 | 0.87 | GLRA3 (0.59) | BACE1GLRA3GLRBLTA4HHPGD | |
| SCHEMBL14144946 | 0.84 | BACE1 (0.41) | BACE1GLRA3GLRBLTA4HHPGD | |
| SCHEMBL3358061 | 0.84 | LTA4H (0.40) | BACE1GLRA3GLRBLTA4HHPGD | |
| SCHEMBL3350520 | 0.82 | GLRA3 (0.57) | BACE1GLRA3GLRBLTA4HHPGD | |
| SCHEMBL3175925 | 0.82 | GLRA3 (0.38) | BACE1GLRA3GLRBLTA4HHPGD | |
| SCHEMBL3350931 | 0.79 | HPGD (0.37) | HPGDGABRA1GABRB2MLYCD |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7115747-B2 | Process for preparing oxazole intermediates | PHARMACIA & UPJOHN COMPANY (US) | 2006-10-03 | — | — | US | claimed |
| EP-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |
| US-7981913-B2 | Isophthalates as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-07-19 | — | — | US | disclosed |
| US-20100222581-A1 | NOVEL ISOPHTHALATES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-09-02 | — | — | US | disclosed |
| US-7745470-B2 | Isophthalates as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-29 | — | — | 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-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-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 |
| WO-2006099352-A1 | NOVEL ISOPHTHALATES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-21 | — | — | WO | disclosed |
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |
| CN-1732161-A | 1,3-diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARM INC (US) | 2006-02-08 | — | — | CN | disclosed |
| EP-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| US-20040214890-A1 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. | 2004-10-28 | — | — | US | disclosed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | 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-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | BACE1 1/4885GLRA3 329/4885GLRB 233/4885 |
| US-20100222581-A1 | NOVEL ISOPHTHALATES AS BETA-SECRETASE INHIBITORS | BACE1, APP, BACE2 | BACE1 1/4885GLRA3 305/4885GLRB 157/4885 |
| US-20040214890-A1 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | APP, BACE1, PSEN1 | BACE1 2/4885GLRA3 1504/4885GLRB 1248/4885 |
| 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 1/4885GLRA3 2433/4885GLRB 1169/4885 |
“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.