Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Betaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | APEX1 | P27695 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Glycinebetaine SCHEMBL19182334 | 0.85 | THRB (0.46) | TSHRALDH1A1LMNATHRBMAPT | |
| Betaine SCHEMBL5965072 | 0.84 | TSHR (0.64) | TSHRALDH1A1LMNAAPEX1MAPT | |
| Methacrylic Acid SCHEMBL27790083 | 0.83 | THRB (0.47) | TSHRALDH1A1LMNATHRBMAPT | |
| Methacrylic Acid SCHEMBL15456814 | 0.82 | THRB (0.53) | TSHRALDH1A1LMNATHRBMAPT | |
| SCHEMBL16429830 | 0.79 | THRB (0.53) | TSHRALDH1A1LMNATHRBMAPT | |
| SCHEMBL30267605 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL11505632 | 0.76 | THRB (0.59) | TSHRALDH1A1LMNATHRBMAPT | |
| Acetic Acid SCHEMBL28298395 | 0.76 | THRB (0.59) | TSHRALDH1A1LMNATHRBMAPT | |
| Bicarbonate SCHEMBL10996730 | 0.76 | THRB (0.59) | TSHRALDH1A1LMNATHRBMAPT | |
| SCHEMBL15030 | 0.76 | — | — |
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-106692091-B | 3D printing gastric floating preparation and preparation method thereof | 北京大学 | 2020-12-01 | — | — | CN | disclosed |