Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3920417 | 0.93 | ALDH1A1 (0.68) | ALDH1A1NPC1KDM4ENPSR1MEN1 | |
| SCHEMBL3920418 | 0.93 | ALDH1A1 (0.68) | ALDH1A1NPC1KDM4ENPSR1MEN1 | |
| SCHEMBL298339 | 0.88 | ALDH1A1 (0.59) | ALDH1A1NPC1KDM4EMEN1KMT2A | |
| SCHEMBL1317230 | 0.88 | ALDH1A1 (0.59) | ALDH1A1NPC1KDM4EMEN1KMT2A | |
| SCHEMBL3917351 | 0.88 | ALDH1A1 (0.59) | ALDH1A1NPC1KDM4EMEN1KMT2A | |
| Acetic Acid SCHEMBL29265548 | 0.81 | MAPT (0.58) | ALDH1A1NPC1KDM4EMEN1KMT2A | |
| Acetic Acid SCHEMBL29265546 | 0.81 | MAPT (0.58) | ALDH1A1NPC1KDM4EMEN1KMT2A | |
| Phenyl Ethanol SCHEMBL7916862 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1KDM4EMEN1KMT2A | |
| SCHEMBL4867981 | 0.79 | ALDH1A1 (0.64) | ALDH1A1NPC1KDM4ENPSR1MEN1 | |
| SCHEMBL2368297 | 0.78 | ALDH1A1 (0.72) | ALDH1A1NPC1KDM4ENPSR1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505156-A1 | Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester | Consortium für elektrochemische Industrie GmbH (DE) | 2005-02-09 | — | — | EP | disclosed |