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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.33 |
| ▸ | CPT1A | P50416 | 1/20 | 0.33 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
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 SCHEMBL6894104 | 0.78 | TSHR (0.43) | ALDH1A1CPT2CPT1ABBOX1 | |
| SCHEMBL6493 | 0.78 | — | — | |
| Glycinebetaine SCHEMBL28110612 | 0.76 | TSHR (0.42) | ALDH1A1CPT2CPT1ABBOX1 | |
| Glycinebetaine SCHEMBL21522546 | 0.76 | CA12 (0.41) | CA1CA12CA2CA9 | |
| Glycinebetaine SCHEMBL18957544 | 0.76 | FFAR3 (0.46) | CA1ALDH1A1CPT2CPT1ABBOX1 | |
| Hydrochloric Acid SCHEMBL11225061 | 0.76 | — | — | |
| Fluoride SCHEMBL11235058 | 0.76 | — | — | |
| SCHEMBL27182974 | 0.76 | — | — | |
| Glycinebetaine SCHEMBL3513638 | 0.74 | TSHR (0.40) | CA1CA2CA9ALDH1A1CPT2 | |
| Glycinebetaine SCHEMBL20337331 | 0.73 | TSHR (0.48) | CA1ALDH1A1CYP2C19CPT2CPT1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0989138-B1 | Ocular lens material and process for producing the same | MENICON CO LTD (JP) | 2005-02-09 | — | — | EP | disclosed |
| US-6346594-B1 | SILICONE POLYMER FOR INTRAOCULAR LENSES WITH AMINE GROUPS | MENICON CO., LTD. (JP) | 2002-02-12 | — | — | US | disclosed |
| EP-0989138-A2 | Ocular lens material and process for producing the same | Menicon Co., Ltd. (JP) | 2000-03-29 | — | — | EP | disclosed |