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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | APEX1 | P27695 | 1/20 | 0.67 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | CPT1A | P50416 | 1/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CRAT | P43155 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 SCHEMBL9281697 | 0.87 | TSHR (0.55) | TSHRALDH1A1LMNAAPEX1SLC22A16 | |
| Glycinebetaine SCHEMBL7739 | 0.87 | — | — | |
| Betaine SCHEMBL31467313 | 0.87 | — | — | |
| Betaine SCHEMBL912129 | 0.87 | — | — | |
| Glycinebetaine SCHEMBL2803780 | 0.87 | TSHR (0.53) | TSHRALDH1A1LMNAAPEX1SLC22A16 | |
| Glycinebetaine SCHEMBL8678519 | 0.87 | TSHR (0.53) | TSHRALDH1A1LMNAAPEX1SLC22A16 | |
| Glycinebetaine SCHEMBL4900209 | 0.87 | — | — | |
| Glycinebetaine SCHEMBL15813100 | 0.85 | TSHR (0.55) | TSHRALDH1A1LMNAAPEX1SLC22A16 | |
| Glycinebetaine SCHEMBL8772044 | 0.85 | TSHR (0.55) | TSHRALDH1A1LMNAAPEX1SLC22A16 | |
| Betaine SCHEMBL2197253 | 0.84 | TSHR (0.78) | TSHRALDH1A1LMNAAPEX1SLC22A16 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120010077-A1 | Methods for Controlling Flower Development in Plants | YALE UNIVERSITY | 2012-01-12 | — | — | US | disclosed |
| WO-2011011235-A1 | TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35) | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2011-01-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120010077-A1 | Methods for Controlling Flower Development in Plants | CYP17A1, STOM, ERG28 | TSHR 4481/4885ALDH1A1 2844/4885LMNA 4754/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.