Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25269621 | 0.81 | GAA (0.43) | TDP1GAANLRP3ALDH1A1MAPT | |
| SCHEMBL7874069 | 0.75 | GAA (0.45) | TDP1GAANLRP3ALDH1A1MAPT | |
| SCHEMBL10999525 | 0.73 | PTGES (0.42) | MAPT | |
| SCHEMBL3925301 | 0.73 | PTGES (0.42) | MAPT | |
| SCHEMBL8389560 | 0.73 | PTGES (0.42) | MAPT | |
| SCHEMBL27683795 | 0.71 | ALDH1A1 (0.49) | ALDH1A1KMT2A | |
| SCHEMBL4955315 | 0.71 | MAPK1 (0.43) | TDP1GAANLRP3ALDH1A1MAPT | |
| SCHEMBL7782748 | 0.69 | HDAC1 (0.37) | GAAALDH1A1MAPTL3MBTL1 | |
| SCHEMBL2566048 | 0.69 | TBXA2R (0.40) | ALDH1A1MAPT | |
| SCHEMBL29582890 | 0.69 | TBXA2R (0.40) | ALDH1A1MAPT |
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-1701931-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics, Inc. (US) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005068412-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |