Known targets — ChEMBL curated mechanism
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
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | FABP3 | P05413 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL11276581 | 1.00 | NFKB1 (0.57) | NFKB1GPR84CA1FABP3KDM4E | |
| Dodecanoate SCHEMBL5463543 | 0.93 | NFKB1 (0.57) | NFKB1GPR84CA1FABP3KDM4E | |
| Stearic Acid SCHEMBL9092533 | 0.93 | NFKB1 (0.65) | NFKB1GPR84CA1FABP3KDM4E | |
| Dodecanoate SCHEMBL27610497 | 0.93 | NFKB1 (0.65) | NFKB1GPR84CA1FABP3KDM4E | |
| Octanoic Acid SCHEMBL17395727 | 0.93 | NFKB1 (0.65) | NFKB1GPR84CA1FABP3KDM4E | |
| Stearic Acid SCHEMBL6911083 | 0.93 | NFKB1 (0.65) | NFKB1GPR84CA1FABP3KDM4E | |
| Dodecanoate SCHEMBL11277766 | 0.93 | NFKB1 (0.65) | NFKB1GPR84CA1FABP3KDM4E | |
| Palmitic Acid SCHEMBL11280216 | 0.93 | NFKB1 (0.65) | NFKB1GPR84CA1FABP3KDM4E | |
| Stearic Acid SCHEMBL1502513 | 0.90 | NFKB1 (0.59) | NFKB1GPR84CA1FABP3KDM4E | |
| Stearic Acid SCHEMBL8645895 | 0.90 | NFKB1 (0.59) | NFKB1GPR84CA1FABP3KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120167451-A1 | PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION | NEW GENERATION BIOFUELS HOLDINGS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| WO-2012006316-A1 | PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION | NEW GENERATION BIOFUELS HOLDINGS, INC. (US) | 2012-01-12 | — | — | WO | disclosed |
| US-20100037513-A1 | Biofuel Composition and Method of Producing a Biofuel | NEW GENERATION BIOFUELS, INC. (US) | 2010-02-18 | — | — | US | disclosed |
| EP-2010631-A2 | BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL | New Generation Biofuels, Inc. (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007127059-A2 | BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL | NEW GENERATION BIOFUELS, INC. (US) | 2007-11-08 | — | — | WO | disclosed |