Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.47 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.44 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17056107 | 0.91 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CPB2SOAT1PAOX | |
| SCHEMBL2149184 | 0.89 | FAAH (0.44) | ALDH1A1CYP1A2CPB2SOAT1ALOX15 | |
| SCHEMBL6940068 | 0.89 | ALDH1A1 (0.68) | ALDH1A1SOAT1NAAAALOX15EPHX1 | |
| SCHEMBL6053468 | 0.89 | LMNA (0.44) | ALDH1A1CYP1A2CPB2PAOXNAAA | |
| SCHEMBL25890409 | 0.88 | NAAA (0.55) | ALDH1A1NAAAHTR2CEPHX1TSHR | |
| Octadecylamine SCHEMBL3287327 | 0.88 | NAAA (0.55) | ALDH1A1NAAAHTR2CEPHX1TSHR | |
| SCHEMBL14096589 | 0.87 | NFKB1 (0.42) | ALDH1A1CYP1A2PAOXALOX15TSHR | |
| SCHEMBL10344245 | 0.87 | ALDH1A1 (0.72) | ALDH1A1SOAT1NAAAALOX15EPHX1 | |
| Hydrochloric Acid SCHEMBL29187293 | 0.84 | BLM (0.44) | ALDH1A1CYP1A2PAOXALOX15TSHR | |
| SCHEMBL448327 | 0.83 | NAAA (0.59) | ALDH1A1NAAAEPHX1TSHRACHE |
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-1566375-A1 | Process for the preparation of amino acid esters and their acid addition salts | Goldschmidt GmbH (DE) | 2005-08-24 | — | — | EP | disclosed |