Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Glycinebetaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CPT2 | P23786 | 1/20 | 0.36 |
| ▸ | CPT1A | P50416 | 1/20 | 0.36 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.34 |
| ▸ | GGT1 | P19440 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 SCHEMBL22499790 | 1.00 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1CPT2 | |
| Glycinebetaine SCHEMBL6673018 | 0.81 | TSHR (0.50) | TSHRALDH1A1LMNAAPEX1CPT2 | |
| Glycinebetaine SCHEMBL9281697 | 0.81 | TSHR (0.55) | TSHRALDH1A1LMNAAPEX1CPT2 | |
| Glycinebetaine SCHEMBL9116728 | 0.81 | TSHR (0.48) | TSHRALDH1A1LMNAAPEX1CPT2 | |
| Glycinebetaine SCHEMBL4900209 | 0.81 | — | — | |
| Glycinebetaine SCHEMBL8678519 | 0.81 | TSHR (0.53) | TSHRALDH1A1LMNAAPEX1CPT2 | |
| Betaine SCHEMBL31467313 | 0.81 | — | — | |
| Glycinebetaine SCHEMBL7739 | 0.81 | — | — | |
| Glycinebetaine SCHEMBL2803780 | 0.81 | TSHR (0.53) | TSHRALDH1A1LMNAAPEX1CPT2 | |
| Glycinebetaine SCHEMBL11906100 | 0.79 | TSHR (0.48) | TSHRALDH1A1LMNAAPEX1CPT2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020024703-A1 | WATER-SOLUBLE FULLERENE TOPICAL COMPOSITION | 北京福纳康生物技术有限公司 | 2020-02-06 | — | — | WO | disclosed |