Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 6/20 | 0.35 |
| ▸ | PPARD | Q03181 | 6/20 | 0.35 |
| ▸ | PPARA | Q07869 | 6/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Methyl 2-Methylbutanoate SCHEMBL6902334 | 0.85 | FFAR3 (0.46) | FFAR3CA1CA2CYP1A2HSD17B10 | |
| Methyl 2-Methylbutanoate SCHEMBL1869834 | 0.85 | CA1 (0.46) | CA1CA2TSHRHSD17B10ALDH1A1 | |
| Methyl 2-Methylbutanoate SCHEMBL283261 | 0.85 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL8954886 | 0.85 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL108113 | 0.85 | — | — | |
| Butyric Acid SCHEMBL1867342 | 0.84 | FFAR3 (0.52) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL23581101 | 0.83 | FFAR3 (0.56) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Methyl 2-Methylbutanoate SCHEMBL27502998 | 0.83 | CA1 (0.45) | CA1CA2TSHRHSD17B10ALDH1A1 | |
| Methyl 2-Methylbutanoate SCHEMBL28123513 | 0.83 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL27352651 | 0.83 | — | — |
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-5543546-A | ESTER INTERCHANGE OF CARBONATE ESTER AND AROMATIC HYDROXYCOMPOUND | NIPPON SHOKUBAI CO., LTD. (JP) | 1996-08-06 | — | — | US | disclosed |