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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | SLC25A20 | O43772 | 3/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CPT2 | P23786 | 2/20 | 0.31 |
| ▸ | CPT1A | P50416 | 2/20 | 0.31 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL288685 | 0.82 | FDPS (0.46) | FDPSTSHRALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28391923 | 0.80 | FDPS (0.45) | FDPSTSHRALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27328297 | 0.80 | FDPS (0.45) | FDPSTSHRALDH1A1MEN1KMT2A | |
| Glycinebetaine SCHEMBL22499790 | 0.76 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1CYP2D6 | |
| Glycinebetaine SCHEMBL21647161 | 0.76 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1CYP2D6 | |
| SCHEMBL259016 | 0.76 | FDPS (0.48) | FDPSTSHRALDH1A1MEN1KMT2A | |
| Glycinebetaine SCHEMBL5880650 | 0.75 | ACLY (0.46) | TSHRRAD52NPSR1SLC25A20TP53 | |
| Glycinebetaine SCHEMBL1959136 | 0.74 | BBOX1 (0.35) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| SCHEMBL20599006 | 0.74 | SMPD1 (0.50) | FDPSTSHRALDH1A1MEN1KMT2A | |
| SCHEMBL31018949 | 0.74 | SMPD1 (0.50) | FDPSTSHRALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1898922-A2 | IMPROVED DRUG OR PHARMACEUTICAL COMPOUNDS AND A PREPARATION THEREOF | Krishnan, Ramu (IN) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007004236-A2 | IMPROVED DRUG OR PHARMACEUTICAL COMPOUNDS AND A PREPARATION THEREOF | KRISHNAN RAMU (IN) | 2007-01-11 | — | — | WO | disclosed |