Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Palmitic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 7/20 | 0.76 |
| ▸ | CA1 | P00915 | 1/20 | 0.71 |
| ▸ | CES2 | O00748 | 4/20 | 0.67 |
| ▸ | CES1 | P23141 | 4/20 | 0.67 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Palmitic Acid SCHEMBL1331650 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Myristic Acid SCHEMBL14166460 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Stearic Acid SCHEMBL11360701 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Heptanoate SCHEMBL107720 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Decanoic Acid SCHEMBL107025 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Stearic Acid SCHEMBL15533368 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Lignoceric Acid SCHEMBL6027217 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Nonadecanoic Acid SCHEMBL6026905 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Nonanoate SCHEMBL109861 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 | |
| Palmitic Acid SCHEMBL19915131 | 1.00 | FABP3 (0.76) | FABP3CA1CES2CES1FFAR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |