Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2294079 | 1.00 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL2294082 | 1.00 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL3673892 | 0.83 | TSHR (0.50) | SMN1; SMN2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL3673890 | 0.83 | TSHR (0.50) | SMN1; SMN2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL25646522 | 0.83 | TSHR (0.46) | SMN1; SMN2ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL28127289 | 0.83 | TSHR (0.50) | SMN1; SMN2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL9954665 | 0.81 | TSHR (0.44) | SMN1; SMN2ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL9911441 | 0.81 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL5128332 | 0.81 | TSHR (0.44) | SMN1; SMN2ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL1036877 | 0.79 | — | — |
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 7 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-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 |
| EP-2230909-A2 | FUNGICIDAL MIXTURES COMPRISING A SUBSTITUTED 3-HYDROXYMETHYLPYRIDINE AND A FURTHER FUNGICIDAL COMPOUND | BASF SE (DE) | 2010-09-29 | — | — | EP | disclosed |
| EP-2219459-A2 | FUNGICIDAL MIXTURES III | BASF SE (DE) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009063074-A2 | FUNGICIDAL MIXTURES I | BASF SE (DE) | 2009-05-22 | — | — | WO | disclosed |
| WO-2009063076-A2 | FUNGICIDAL MIXTURES III | BASF SE (DE) | 2009-05-22 | — | — | 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 | SMN1; SMN2 154/4885ALDH1A1 2178/4885KDM4E 3054/4885 |
“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.