Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LPL | P06858 | 1/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 6/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | HMOX2 | P30519 | 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 | |
|---|---|---|---|---|
| SCHEMBL1830523 | 0.94 | LPL (0.48) | KDM4ELPLLIPGALDH1A1CYP1A2 | |
| SCHEMBL31150275 | 0.91 | LPL (0.48) | KDM4ELPLLIPGALDH1A1CYP1A2 | |
| SCHEMBL431636 | 0.87 | LIPG (0.46) | KDM4ELPLLIPGALDH1A1CYP1A2 | |
| SCHEMBL2801619 | 0.84 | LPL (0.51) | LPLLIPGALDH1A1MAOB | |
| SCHEMBL18124821 | 0.84 | LIPG (0.50) | LPLLIPGMAPK1 | |
| SCHEMBL20745594 | 0.83 | LPL (0.43) | KDM4ELPLLIPGALDH1A1LMNA | |
| Cyclopentane SCHEMBL28665515 | 0.83 | LPL (0.43) | KDM4ELPLLIPGALDH1A1CYP1A2 | |
| SCHEMBL8445213 | 0.83 | LPL (0.48) | LPLLIPGMAOB | |
| SCHEMBL1821482 | 0.82 | KDM4E (0.63) | KDM4EALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL4602862 | 0.81 | LPL (0.49) | LPLLIPGKMT2A |
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-2324032-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |