Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.33 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL55045 | 0.91 | — | — | |
| SCHEMBL53570 | 0.91 | — | — | |
| SCHEMBL2544991 | 0.91 | — | — | |
| SCHEMBL28902938 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL27770158 | 0.88 | TSHR (0.46) | TSHRHSD17B10MGAMGAASI | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL27749364 | 0.84 | ALDH1A1 (0.48) | TSHRSLC22A6SMN1; SMN2MAPTGABRR1 | |
| Trimethylammonium SCHEMBL27917620 | 0.84 | TSHR (0.42) | TSHRHSD17B10MGAMGAASI | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL27742464 | 0.83 | GPR84 (0.44) | TSHRSLC22A6HSD17B10MAPTGABRR1 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL1897117 | 0.83 | SLC22A6 (0.56) | SLC22A6SMN1; SMN2MAPTGABRR1LMNA | |
| (R)-3-Hydroxybutanoate SCHEMBL60959 | 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 |
|---|---|---|---|---|---|---|---|
| CN-116396163-A | Method for one-step catalytic synthesis of (R) -3-hydroxybutyric acid oligomer by using solid acid catalyst | 东莞理工学院 | 2023-07-07 | — | — | CN | disclosed |