Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dodecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 2/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | FABP3 | P05413 | 6/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Oleic Acid SCHEMBL10996446 | 0.92 | FABP3 (0.61) | FABP3 | |
| Dodecanoate SCHEMBL6915224 | 0.89 | GPR84 (0.53) | CES2CES1PPARGNR1I2FABP3 | |
| Dodecanoate SCHEMBL9247083 | 0.88 | CES2 (0.50) | CES2CES1PPARGCA1PTGS2 | |
| Nonanoate SCHEMBL28806669 | 0.88 | CES2 (0.50) | CES2CES1PPARGCA1PTGS2 | |
| Dodecane SCHEMBL10478943 | 0.87 | NR1I2 (0.58) | CES2CES1NR1I2PTGS2 | |
| Hexadecane SCHEMBL29039924 | 0.87 | NR1I2 (0.58) | CES2CES1NR1I2PTGS2 | |
| Octane SCHEMBL6565412 | 0.87 | NR1I2 (0.58) | CES2CES1NR1I2PTGS2 | |
| SCHEMBL29277540 | 0.84 | NR1I2 (0.54) | CES2CES1NR1I2PTGS2 | |
| Stearic Acid SCHEMBL9117839 | 0.82 | HDAC1 (0.64) | CES2CES1HDAC3HDAC4HDAC1 | |
| SCHEMBL27462829 | 0.82 | CES2 (0.48) | CES2CES1NR1I2PTGS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1088853-B1 | Mg-Al-based hydrotalcite-type particles, chlorine-containing resin stabilizer and process for producing the particles | TODA KOGYO CORP (JP) | 2004-10-13 | — | — | EP | disclosed |
| US-6413639-B1 | LARGE PLATE SURFACE DIAMETER AND EXCELLENT STABILITY AND HEAT RESISTANCE | TODA KOGYO CORPORATION (JP) | 2002-07-02 | — | — | US | disclosed |
| EP-1088853-A1 | Mg-Al-based hydrotalcite-type particles, chlorine-containing resin stabilizer and process for producing the particles | Toda Kogyo Corporation (JP) | 2001-04-04 | — | — | EP | disclosed |
| EP-0237485-B1 | Stabilized compositions of rigid PVC | CIBA GEIGY AG (CH) | 1995-01-18 | — | — | EP | disclosed |