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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5606209 | 0.85 | GPR84 (0.48) | GPR84FFAR1FFAR4ACE2MAPT | |
| SCHEMBL10577135 | 0.85 | GPR84 (0.48) | GPR84FFAR1FFAR4ACE2MAPT | |
| Decan-2-Ol SCHEMBL15363892 | 0.76 | GPR84 (0.42) | CA1GPR84CA2FFAR1FFAR4 | |
| Glycinebetaine SCHEMBL2132643 | 0.74 | GPR84 (0.41) | CA1GPR84CA2FFAR1ACE2 | |
| Glycinebetaine SCHEMBL2133338 | 0.74 | GPR84 (0.41) | CA1GPR84CA2FFAR1ACE2 | |
| Glycinebetaine SCHEMBL2135218 | 0.74 | GPR84 (0.41) | CA1GPR84CA2FFAR1ACE2 | |
| Glycinebetaine SCHEMBL3889766 | 0.74 | GPR84 (0.41) | CA1GPR84CA2FFAR1ACE2 | |
| Dodecanoate SCHEMBL2153140 | 0.74 | GPR84 (0.50) | GPR84FFAR1FFAR4MAPTPPARD | |
| Glycinebetaine SCHEMBL2131138 | 0.74 | GPR84 (0.41) | CA1GPR84CA2FFAR1ACE2 | |
| Glycinebetaine SCHEMBL1065800 | 0.74 | GPR84 (0.41) | CA1GPR84CA2FFAR1ACE2 |
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-0473502-B1 | Washing composition capable of preventing and ameliorating skin irritation | SHISEIDO CO LTD (JP) | 1996-02-14 | — | — | EP | disclosed |
| US-5306444-A | Containing protease inhibitor | SHISEIDO COMPANY LTD. (JP) | 1994-04-26 | — | — | US | disclosed |
| EP-0473502-A1 | Washing composition capable of preventing and ameliorating skin irritation | SHISEIDO COMPANY LIMITED (JP) | 1992-03-04 | — | — | EP | disclosed |