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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | RGS12 | O14924 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6670928 | 0.90 | MEN1 (0.38) | ALDH1A1MEN1APAF1RGS12HSP90AA1 | |
| Glycinebetaine SCHEMBL3919091 | 0.76 | ALDH1A1 (0.33) | ALDH1A1TBXA2RPKMGAA | |
| Glycinebetaine SCHEMBL3920896 | 0.76 | KDM4E (0.42) | ALDH1A1MEN1KMT2A | |
| Glycinebetaine SCHEMBL16817822 | 0.72 | HDAC3 (0.35) | ALDH1A1MAPK1 | |
| Glycinebetaine SCHEMBL3919698 | 0.70 | MEN1 (0.33) | MEN1KMT2A | |
| Adipic Acid SCHEMBL5474223 | 0.69 | TSHR (0.50) | ALDH1A1MEN1KMT2A | |
| SCHEMBL1105692 | 0.68 | HTT (0.58) | ALDH1A1MEN1APAF1RGS12HSP90AA1 | |
| Bromide SCHEMBL3921022 | 0.67 | HTT (0.56) | MEN1APAF1RGS12HSP90AA1MAPK1 | |
| SCHEMBL14454728 | 0.67 | HTT (0.55) | MEN1APAF1RGS12HSP90AA1MAPK1 | |
| Decanoic Acid SCHEMBL8774854 | 0.65 | GPR84 (0.63) | ALDH1A1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7563907-B2 | Compounds based on polymethines | DYOMICS GMBH (DE) | 2009-07-21 | — | — | US | disclosed |
| US-20040260093-A1 | Compound, especially marker-dye on the basis of polymethines | DYOMICS GMBH (DE) | 2004-12-23 | — | — | US | disclosed |
| US-20030165942-A1 | Compound, especially marker-dye, on the basis of polymethines | DYOMICS GMBH (DE) | 2003-09-04 | — | — | US | 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 (2 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-20030165942-A1 | Compound, especially marker-dye, on the basis of polymethines | MKI67, CYBA, IK | ALDH1A1 951/4885MEN1 2072/4885APAF1 1995/4885 |
| US-20040260093-A1 | Compound, especially marker-dye on the basis of polymethines | MKI67, IK, CYBA | ALDH1A1 819/4885MEN1 2360/4885APAF1 2337/4885 |
“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.