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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Betaine SCHEMBL9760152 | 0.80 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL2129189 | 0.75 | TSHR (0.40) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL7550058 | 0.71 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL7046211 | 0.71 | TSHR (0.45) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL7554854 | 0.71 | TSHR (0.45) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL3642873 | 0.69 | TSHR (0.56) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL1628919 | 0.69 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1 | |
| SCHEMBL5538769 | 0.68 | CHRM1 (0.56) | TSHRLMNA | |
| Betaine SCHEMBL3179196 | 0.66 | TSHR (0.52) | TSHRALDH1A1LMNAAPEX1 | |
| SCHEMBL11545034 | 0.65 | HDAC1 (0.44) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5024736-A | Process for electroplating utilizing disubstituted ethane sulfonic compounds as electroplating auxiliaries and electroplating auxiliaries containing same | RASCHIG AG (DE) | 1991-06-18 | — | — | US | disclosed |