Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GGT1 | P19440 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL27519097 | 0.92 | — | — | |
| Pivalate SCHEMBL4318862 | 0.91 | — | — | |
| Pivalate SCHEMBL3613 | 0.91 | — | — | |
| Pivalate SCHEMBL5116637 | 0.91 | TSHR (0.61) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL332912 | 0.91 | TSHR (0.61) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL25209317 | 0.87 | — | — | |
| Pivalate SCHEMBL15771206 | 0.87 | — | — | |
| Pivalate SCHEMBL6511203 | 0.87 | — | — | |
| Pivalate SCHEMBL10822159 | 0.87 | — | — | |
| Pivalate SCHEMBL1685641 | 0.87 | — | — |
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-105622625-A | Synthesis method of benzopyrone and imidazopyridine compound | UNIV HENAN NORMAL | 2016-06-01 | — | — | CN | disclosed |