Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28776049 | 1.00 | CA2 (0.39) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL8944922 | 0.80 | CA14 (0.43) | CA2ALDH1A1SMN1; SMN2MLYCDMEN1 | |
| SCHEMBL1412323 | 0.79 | CA2 (0.40) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL21638029 | 0.79 | NPSR1 (0.35) | ALDH1A1POLBCYP2C9CYP2C19 | |
| SCHEMBL1681789 | 0.79 | CA2 (0.40) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL23894830 | 0.79 | NPSR1 (0.35) | ALDH1A1POLBCYP2C9CYP2C19 | |
| SCHEMBL13196035 | 0.79 | CA2 (0.40) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL1412322 | 0.79 | CA2 (0.40) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL17282769 | 0.79 | CA2 (0.40) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL13605181 | 0.79 | NPSR1 (0.35) | ALDH1A1POLBCYP2C9CYP2C19 |
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 5 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 |
| EP-1395551-A2 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES | Elan Pharmaceuticals, Inc. (US) | 2004-03-10 | — | — | EP | claimed |
| WO-2002098849-A2 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | claimed |
| EP-1395551-A2 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES | Elan Pharmaceuticals, Inc. (US) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002098849-A2 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | 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 (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 | CA2 2723/4885ESR1 2712/4885KCNH2 4190/4885 |
“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.