Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19404635 | 0.91 | ALDH1A1 (0.64) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL3351986 | 0.89 | ALDH1A1 (0.57) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL8382812 | 0.88 | ALDH1A1 (0.52) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL3310896 | 0.86 | ALDH1A1 (0.64) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL28969011 | 0.86 | SOAT1 (0.48) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL7760145 | 0.85 | MMP1 (0.48) | ALDH1A1HPGDLMNACA12CA9 | |
| SCHEMBL8384974 | 0.85 | ALDH1A1 (0.53) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL9692960 | 0.84 | ALDH1A1 (0.61) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL11770064 | 0.84 | ALDH1A1 (0.61) | ALDH1A1HPGDLMNACA12CA2 | |
| SCHEMBL27332967 | 0.83 | SOAT1 (0.50) | ALDH1A1HPGDLMNASOAT1MEN1 |
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 25 patents — showing the first 20. 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 |
| EP-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |
| JP-2004502669-A | — | — | 2004-01-29 | — | — | JP | claimed |
| EP-1353898-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2003-10-22 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| WO-2002002512-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-10 | — | — | WO | claimed |
| JP-57134452-A | — | — | None | — | — | JP | disclosed |
| JP-61001651-A | — | — | None | — | — | JP | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-20100048590-A1 | N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS | GAILUNAS ANDREA | 2010-02-25 | — | — | US | disclosed |
| US-7589094-B2 | N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds | ELAN PHARMACEUTICALS, INC. (US) | 2009-09-15 | — | — | 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-20060194817-A1 | N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds | ELAN PHARMACEUTICALS, INC. | 2006-08-31 | — | — | US | disclosed |
| US-20060106256-A1 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY | 2006-05-18 | — | — | US | disclosed |
| JP-S611651-A | N-ACYL ACIDIC AMINO ACID DIAMIDE COMPOUND, ITS PREPARATION, AND ANTIULCER AGENT CONTAINING SAME | TOYAMA CHEM CO LTD | 1986-01-07 | — | — | JP | disclosed |
| JP-S57134452-A | N-ACYL ACIDIC AMINO ACID DIAMIDE, ITS PREPARATION, AND ANTIULCER AGENT CONTAINING THE SAME | TOYAMA CHEM CO LTD | 1982-08-19 | — | — | JP | 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 (5 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-20060194817-A1 | N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds | BACE1, APP, BACE2 | ALDH1A1 1577/4885HPGD 482/4885LMNA 648/4885 |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | ALDH1A1 527/4885HPGD 155/4885LMNA 426/4885 |
| US-20100048590-A1 | N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS | BACE1, APP, BACE2 | ALDH1A1 1577/4885HPGD 482/4885LMNA 648/4885 |
| US-20060106256-A1 | Substituted hydroxyethylamines | HNMT, PNMT, BCHE | ALDH1A1 589/4885HPGD 356/4885LMNA 1652/4885 |
| 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 | ALDH1A1 2178/4885HPGD 1263/4885LMNA 133/4885 |
“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.