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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6979463 | 0.92 | THRB (0.37) | TSHRTHRBCHRM5CHRM1CHRM3 | |
| SCHEMBL23542781 | 0.84 | TSHR (0.41) | APEX1TSHRTHRB | |
| Betaine SCHEMBL5168150 | 0.82 | APEX1 (0.40) | ALDH1A1LMNAAPEX1TSHRTHRB | |
| SCHEMBL14806743 | 0.81 | CHRM5 (0.35) | CHRM5CHRM1CHRM3MAPT | |
| SCHEMBL23542774 | 0.80 | THRB (0.36) | TSHRTHRBCHRM5CHRM1CHRM3 | |
| Betaine SCHEMBL513480 | 0.80 | APEX1 (0.38) | ALDH1A1LMNAAPEX1TSHRTHRB | |
| Betaine SCHEMBL6062726 | 0.79 | APEX1 (0.48) | ALDH1A1LMNAAPEX1TSHRTHRB | |
| SCHEMBL29292245 | 0.79 | THRB (0.42) | ALDH1A1LMNAAPEX1TSHRTHRB | |
| Betaine SCHEMBL14857276 | 0.79 | APEX1 (0.37) | ALDH1A1LMNAAPEX1TSHRTHRB | |
| Betaine SCHEMBL5170046 | 0.79 | APEX1 (0.37) | ALDH1A1LMNAAPEX1TSHRTHRB |
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 |
|---|---|---|---|---|---|---|---|
| US-7012048-B2 | Composition and method for treating hair containing a cationic ampholytic polymer and an anionic benefit agent | NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) | 2006-03-14 | — | — | US | disclosed |
| US-20040224862-A1 | Composition and method for treating hair containing a cationic ampholytic polymer and an anionic benefit agent | AKZO NOBEL N.V. (NL) | 2004-11-11 | — | — | US | disclosed |
| EP-1447075-A2 | Composition and method for treating hair containing a cationic ampholytic polymer and an anionic benefit agent | National Starch and Chemical Investment Holding Corporation (US) | 2004-08-18 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040224862-A1 | Composition and method for treating hair containing a cationic ampholytic polymer and an anionic benefit agent | KRT18, PSAP, AREG | ALDH1A1 2683/4885LMNA 1351/4885APEX1 2597/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.