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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CRAT | P43155 | 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 | |
|---|---|---|---|---|
| SCHEMBL4457814 | 0.80 | — | — | |
| Glycinebetaine SCHEMBL6156947 | 0.76 | CA1 (0.39) | CA12CA1CA2CA9 | |
| Glycinebetaine SCHEMBL21522300 | 0.76 | TSHR (0.35) | CRAT | |
| Glycinebetaine SCHEMBL6894104 | 0.75 | TSHR (0.43) | CRAT | |
| Glycinebetaine SCHEMBL5166113 | 0.74 | — | — | |
| Glycinebetaine SCHEMBL28110612 | 0.73 | TSHR (0.42) | CRAT | |
| Glycinebetaine SCHEMBL21522630 | 0.73 | MEN1 (0.30) | — | |
| Glycinebetaine SCHEMBL3513638 | 0.72 | TSHR (0.40) | CA1CA2CA9CRAT | |
| Glycinebetaine SCHEMBL10777549 | 0.71 | ALDH1A1 (0.52) | CA1CA2 | |
| Glycinebetaine SCHEMBL8651387 | 0.71 | TSHR (0.48) | CRAT |
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-20190328939-A1 | Method for Preparing Anti-Bacterial Surface on Medical Material Surface | SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) | 2019-10-31 | — | — | US | claimed |
| US-20190328939-A1 | Method for Preparing Anti-Bacterial Surface on Medical Material Surface | SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) | 2019-10-31 | — | — | US | disclosed |