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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
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 SCHEMBL16245180 | 0.83 | TSHR (0.34) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL3946024 | 0.80 | TSHR (0.35) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL514681 | 0.80 | TSHR (0.35) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL1078055 | 0.79 | TSHR (0.33) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL10908499 | 0.74 | TSHR (0.37) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL8018564 | 0.74 | TSHR (0.39) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL6917420 | 0.73 | TSHR (0.38) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL5613071 | 0.72 | TSHR (0.35) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL7991073 | 0.72 | TSHR (0.35) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL10728303 | 0.72 | TSHR (0.54) | TSHRALDH1A1LMNAAPEX1 |
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-20060003654-A1 | Dispersible alcohol/cleaning wipes via topical or wet-end application of acrylamide or vinylamide/amine polymers | KIMBERLY-CLARK WORLDWIDE, INC. | 2006-01-05 | — | — | US | claimed |
| US-7670967-B2 | Dispersible alcohol/cleaning wipes via topical or wet-end application of acrylamide or vinylamide/amine polymers | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2010-03-02 | — | — | US | disclosed |
| US-20060003654-A1 | Dispersible alcohol/cleaning wipes via topical or wet-end application of acrylamide or vinylamide/amine polymers | KIMBERLY-CLARK WORLDWIDE, INC. | 2006-01-05 | — | — | US | disclosed |