Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6469110 | 0.84 | ALDH1A1 (0.38) | FDPSALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL11134442 | 0.82 | ALDH1A1 (0.37) | FDPSALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL14613986 | 0.80 | ALDH1A1 (0.35) | FDPSALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL1784541 | 0.78 | FFAR3 (0.38) | FDPSALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL1695996 | 0.78 | MEN1 (0.34) | FDPSALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL17336295 | 0.78 | MEN1 (0.34) | FDPSALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL27862183 | 0.78 | ALDH1A1 (0.34) | FDPSALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL9147483 | 0.78 | FFAR3 (0.41) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| SCHEMBL28723782 | 0.76 | ALDH1A1 (0.33) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| SCHEMBL9102847 | 0.76 | MEN1 (0.33) | ALDH1A1MEN1CYP1A2KMT2ATHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-109438216-A | A kind of preparation method of high-purity isooctyl acid | 万华化学集团股份有限公司 | 2019-03-08 | — | — | CN | disclosed |