Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Betaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4195194 | 0.87 | HDAC8 (0.43) | TSHRALDH1A1LMNAHDAC8TDP1 | |
| Hydrochloric Acid SCHEMBL252691 | 0.85 | HDAC8 (0.42) | TSHRALDH1A1LMNAHDAC8TDP1 | |
| Betaine SCHEMBL953768 | 0.80 | TDP1 (0.36) | TSHRALDH1A1LMNAAPEX1HDAC8 | |
| Betaine SCHEMBL3642873 | 0.77 | TSHR (0.56) | TSHRALDH1A1LMNAAPEX1ACHE | |
| SCHEMBL21291698 | 0.72 | HDAC8 (0.42) | TSHRALDH1A1HDAC8TDP1SMN1; SMN2 | |
| Betaine SCHEMBL4300224 | 0.72 | TSHR (0.54) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL7997038 | 0.71 | CYP1A2 (0.45) | TSHRALDH1A1LMNAAPEX1TDP1 | |
| Bromide SCHEMBL16322851 | 0.70 | HDAC8 (0.41) | TSHRALDH1A1HDAC8TDP1SMN1; SMN2 | |
| SCHEMBL10880403 | 0.70 | HDAC8 (0.48) | TSHRALDH1A1HDAC8TDP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6112322 | 0.69 | HDAC8 (0.39) | TSHRALDH1A1LMNAHDAC8TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404305-B1 | PHARMACOLOGICAL PREPARATION MADE FROM A NANOPARTICULATE MESOMORPHOUS POLYELECTROLYTE LIPID COMPLEX AND AT LEAST ONE ACTIVE INGREDIENT | FRAUNHOFER GES FORSCHUNG (DE) | 2008-11-12 | — | — | EP | claimed |