Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 5/20 | 0.33 |
| ▸ | CNR2 | P34972 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.30 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 SCHEMBL30397349 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRTRPA1MAPK1CNR1 | |
| Pivalate SCHEMBL1950251 | 0.83 | — | — | |
| Bicarbonate SCHEMBL7227147 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TSHRTRPA1MAPK1CNR1 | |
| Bicarbonate SCHEMBL11119970 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TSHRTRPA1MAPK1CNR1 | |
| Pivalate SCHEMBL4318862 | 0.79 | — | — | |
| Pivalate SCHEMBL332912 | 0.79 | TSHR (0.61) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL3613 | 0.79 | — | — | |
| Pivalate SCHEMBL5116637 | 0.79 | TSHR (0.61) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL11385889 | 0.78 | ALDH1A1 (0.35) | ALDH1A1TSHRTRPA1CNR1CNR2 | |
| Pivalate SCHEMBL28490918 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A |
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-105073696-B | With the selective hydration for the aldehyde that ruthenium/bidentate ligand complex compound carries out | 弗门尼舍有限公司 | 2018-06-05 | — | — | CN | disclosed |