Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3305686 | 0.81 | CYP3A4 (0.38) | ALDH1A1MAPTL3MBTL1KCNH2 | |
| SCHEMBL28986677 | 0.74 | ALDH1A1 (0.54) | ALDH1A1MAPTL3MBTL1HRH3KCNH2 | |
| SCHEMBL27644720 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1DRD4MTNR1A | |
| SCHEMBL7523541 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1HRH3KCNH2 | |
| SCHEMBL11729095 | 0.70 | TSHR (0.41) | ALDH1A1MAPTL3MBTL1KCNH2 | |
| SCHEMBL171395 | 0.67 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1TAAR1 | |
| SCHEMBL232188 | 0.67 | MAPT (0.78) | ALDH1A1MAPTL3MBTL1HRH3DRD4 | |
| SCHEMBL6842001 | 0.67 | MAPT (0.45) | ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL7066835 | 0.66 | ALDH1A1 (0.54) | ALDH1A1MAPTL3MBTL1HRH3DRD4 | |
| SCHEMBL16755617 | 0.66 | TDP1 (0.43) | ALDH1A1MAPTL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |