Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.52 |
| ▸ | ALPI | P09923 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | XIAP | P98170 | 1/20 | 0.52 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.49 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.49 |
| ▸ | GSR | P00390 | 1/20 | 0.48 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.47 |
| ▸ | TLR2 | O60603 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenylalanine SCHEMBL598091 | 0.90 | ALPI (0.65) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Dl-Phenylalanine SCHEMBL598090 | 0.90 | ALPI (0.65) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Dodecanoate SCHEMBL599338 | 0.90 | ALPI (0.65) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Dodecanoate SCHEMBL599337 | 0.90 | ALPI (0.65) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Decanoic Acid SCHEMBL17667545 | 0.90 | ALPI (0.65) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Phenylalanine SCHEMBL10918732 | 0.89 | SLC7A5 (0.67) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Phenylalanine SCHEMBL1921649 | 0.87 | SLC7A5 (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Dl-Phenylalanine SCHEMBL27802522 | 0.87 | SLC7A5 (0.69) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL18344245 | 0.86 | GSR (0.65) | GSRTLR2THRBFFAR4FFAR1 | |
| Dl-Phenylalanine SCHEMBL20740843 | 0.86 | SLC7A5 (0.71) | ALPIPKMPTGS1XIAPSLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010120365-A2 | PROTEIN-CARRIER CONJUGATES | WU NIAN (US) | 2010-10-21 | — | — | WO | disclosed |