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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.88 |
| ▸ | LMNA | P02545 | 4/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.82 |
| ▸ | APEX1 | P27695 | 1/20 | 0.82 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.37 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.33 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 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 | |
|---|---|---|---|---|
| Betaine SCHEMBL2021375 | 0.97 | — | — | |
| Betaine SCHEMBL912129 | 0.97 | — | — | |
| Betaine SCHEMBL134333 | 0.94 | — | — | |
| Betaine SCHEMBL399905 | 0.94 | TSHR (1.00) | TSHRLMNAALDH1A1APEX1MAPT | |
| Betaine SCHEMBL27746762 | 0.91 | TSHR (0.82) | TSHRLMNAALDH1A1APEX1MAPT | |
| Betaine SCHEMBL1318276 | 0.90 | — | — | |
| Betaine SCHEMBL1312998 | 0.90 | — | — | |
| Betaine SCHEMBL9485249 | 0.90 | — | — | |
| Betaine SCHEMBL16046840 | 0.90 | — | — | |
| Betaine SCHEMBL2358556 | 0.90 | TSHR (0.93) | TSHRLMNAALDH1A1APEX1MAPT |
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-1948317-B1 | ANTIPERSPIRANT COMPOSITIONS | COLGATE PALMOLIVE CO (US) | 2013-10-16 | — | — | EP | claimed |