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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPT2 | P23786 | 1/20 | 0.44 |
| ▸ | CPT1A | P50416 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.38 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CRAT | P43155 | 1/20 | 0.32 |
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 SCHEMBL273227 | 0.98 | CPT2 (0.45) | CPT2CPT1ATSHRALDH1A1LMNA | |
| Glycinebetaine SCHEMBL6051974 | 0.87 | CPT2 (0.50) | CPT2CPT1ATSHRALDH1A1LMNA | |
| Glycinebetaine SCHEMBL7147184 | 0.85 | TSHR (0.46) | CPT2CPT1ATSHRALDH1A1LMNA | |
| Valine SCHEMBL273485 | 0.84 | SLC7A5 (0.58) | CPT2CPT1ATSHRALDH1A1LMNA | |
| Valine SCHEMBL17272580 | 0.84 | SLC7A5 (0.58) | CPT2CPT1ATSHRALDH1A1LMNA | |
| Glycinebetaine SCHEMBL9075162 | 0.83 | TP53 (0.50) | CPT2CPT1ATSHRALDH1A1LMNA | |
| Isoleucine SCHEMBL22635794 | 0.82 | CPT2 (0.37) | CPT2CPT1ATSHRALDH1A1LMNA | |
| Glycinebetaine SCHEMBL61181 | 0.82 | — | — | |
| Glycinebetaine SCHEMBL7197968 | 0.82 | TSHR (0.50) | CPT2CPT1ATSHRALDH1A1LMNA | |
| Glycinebetaine SCHEMBL8471539 | 0.82 | TSHR (0.50) | CPT2CPT1ATSHRALDH1A1LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296698-A4 | THERAPEUTIC AGENTS - II | PEPLIN RESEARCH PTY LTD (AU) | 2005-02-16 | — | — | EP | claimed |
| EP-1296697-A4 | THERAPEUTIC AGENTS - I | PEPLIN RESEARCH PTY LTD (AU) | 2005-02-16 | — | — | EP | claimed |
| EP-1296699-A4 | THERAPEUTIC AGENTS - III | PEPLIN RESEARCH PTY LTD (AU) | 2005-02-16 | — | — | EP | claimed |
| EP-1296697-A1 | THERAPEUTIC AGENTS - I | Peplin Research Pty Ltd (AU) | 2003-04-02 | — | — | EP | claimed |
| EP-1296698-A1 | THERAPEUTIC AGENTS - II | Peplin Research Pty Ltd (AU) | 2003-04-02 | — | — | EP | claimed |
| EP-1296699-A1 | THERAPEUTIC AGENTS - III | Peplin Research Pty Ltd (AU) | 2003-04-02 | — | — | EP | claimed |
| WO-2001093883-A1 | THERAPEUTIC AGENTS - III | PEPLIN RESEARCH PTY LTD (AU) | 2001-12-13 | — | — | WO | claimed |
| WO-2001093884-A1 | THERAPEUTIC AGENTS - I | PEPLIN RESEARCH PTY. LTD. (AU) | 2001-12-13 | — | — | WO | claimed |
| WO-2001093885-A1 | THERAPEUTIC AGENTS - II | PEPLIN RESEARCH PTY LTD (AU) | 2001-12-13 | — | — | WO | claimed |