Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.34 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27872394 | 0.81 | SLC7A5 (0.45) | CYP2D6CYP2C19GRIA1GRIA4 | |
| SCHEMBL1768945 | 0.81 | SLC7A5 (0.45) | CYP2D6CYP2C19GRIA1GRIA4 | |
| SCHEMBL8909346 | 0.78 | GRIA1 (0.41) | CYP2D6CYP2C19GRIA1GRIA4CA12 | |
| SCHEMBL13740588 | 0.77 | APAF1 (0.40) | APAF1CYP2D6CYP2C19GABRR1CYP1A2 | |
| SCHEMBL2281550 | 0.75 | MMP12 (0.38) | CYP2D6CYP2C19GRIA1ALDH1A1 | |
| SCHEMBL13584862 | 0.73 | SLC7A5 (0.45) | CYP2D6CYP2C19CA12CA7CA9 | |
| SCHEMBL13584861 | 0.73 | SLC7A5 (0.45) | CYP2D6CYP2C19CA12CA7CA9 | |
| SCHEMBL22361408 | 0.72 | GRIA1 (0.41) | GRIA1CA12CA7CA9CA14 | |
| SCHEMBL2235421 | 0.71 | PMP22 (0.44) | CYP1A2BLMGRIA1GRIA4 | |
| SCHEMBL1768804 | 0.71 | PMP22 (0.44) | CYP1A2BLMGRIA1GRIA4 |
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 3 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 |
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 | APAF1 664/4885CYP2D6 2834/4885CYP2C19 2654/4885 |
“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.