Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nonanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 7/20 | 0.72 |
| ▸ | 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 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| Undecanoate SCHEMBL5857955 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Stearic Acid SCHEMBL935 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Heptanoate SCHEMBL267659 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Stearic Acid SCHEMBL1543060 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Pentadecanoic Acid SCHEMBL18429968 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Myristic Acid SCHEMBL8003084 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Arachidic Acid SCHEMBL11867584 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Stearic Acid SCHEMBL5694020 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Stearic Acid SCHEMBL4655901 | 1.00 | FABP3 (0.72) | FABP3CA1CES2CES1FFAR3 | |
| Palmitic Acid SCHEMBL103017 | 1.00 | FABP3 (0.72) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0580821-A1 | FATTY ACID-BASED ANTIFUNGAL COMPOSITION HAVING RESIDUAL ACTIVITY. | NEUDORFF W GMBH KG (DE) | 1994-02-02 | — | — | EP | disclosed |
| WO-1993013661-A1 | FATTY ACID-BASED ANTIFUNGAL COMPOSITION HAVING RESIDUAL ACTIVITY | W. NEUDORFF GMBH KG (DE) | 1993-07-22 | — | — | WO | disclosed |