Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL2271896 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Hexane SCHEMBL28378766 | 0.86 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Hexane SCHEMBL27765450 | 0.84 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Heptane SCHEMBL2399914 | 0.84 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Dodecane SCHEMBL3308504 | 0.84 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Hexadecane SCHEMBL3291441 | 0.84 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Heptane SCHEMBL2599527 | 0.84 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Heptane SCHEMBL9865847 | 0.84 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Heptane SCHEMBL18725336 | 0.84 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10MEN1MAPT | |
| Heptane SCHEMBL11904142 | 0.84 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10MEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896444-A2 | IMPROVED PROCESSES FOR THE PREPARATION OF PROTECTED -(+)-CATECHIN AND (-)-EPICATECHIN NOMOMERS, FOR COUPLING THE PROTECTED MONOMERS WITH AN ACTIVATED, PROTECTED EPICATECHIN MONOMER, AND FOR THE PREPARATION OF EPICATECHIN-(4 , 8)-EPICATECHIN OR -CATECHIN DIMERS AND THEIR DIGALLATES | MARS, INCORPORATED (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007005248-A2 | IMPROVED PROCESSES FOR THE PREPARATION OF PROTECTED -(+)-CATECHIN AND (-)-EPICATECHIN NOMOMERS, FOR COUPLING THE PROTECTED MONOMERS WITH AN ACTIVATED, PROTECTED EPICATECHIN MONOMER, AND FOR THE PREPARATION OF EPICATECHIN-(4β, 8)-EPICATECHIN OR -CATECHIN DIMERS AND THEIR DIGALLATES | MARS, INCORPORATED (US) | 2007-01-11 | — | — | WO | disclosed |
| US-20070004796-A1 | Processes for the preparation of protected-(+)-catechin and (-)-epicatechin monomers, for coupling the protected monomers with an activated, protected epicatechin monomer, and for the preparation of epicatechin-(4B,8)-epicatechin or -catechin dimers and their digallates | MARS, INC. | 2007-01-04 | — | — | US | disclosed |