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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 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 | |
|---|---|---|---|---|
| SCHEMBL974527 | 0.88 | BBOX1 (0.35) | BBOX1 | |
| Betaine SCHEMBL8029914 | 0.78 | TSHR (0.39) | TSHRALDH1A1LMNAAPEX1MAPT | |
| Betaine SCHEMBL4254026 | 0.76 | PSMD14 (0.43) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL1356056 | 0.75 | TSHR (0.58) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| Betaine SCHEMBL4778480 | 0.74 | BBOX1 (0.46) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| SCHEMBL9292923 | 0.74 | BBOX1 (0.38) | BBOX1 | |
| Betaine SCHEMBL6063778 | 0.74 | ALDH1A1 (0.35) | TSHRALDH1A1LMNAAPEX1MAPT | |
| Betaine SCHEMBL8018563 | 0.73 | LMNA (0.37) | TSHRALDH1A1LMNAAPEX1MAPT | |
| Betaine SCHEMBL8636125 | 0.72 | TSHR (0.45) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL8034210 | 0.71 | USP2 (0.43) | ALDH1A1LMNAAPEX1MAPT |
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-9157183-B2 | Treatment composition for textile goods | LION CORPORATION (JP) | 2015-10-13 | — | — | US | disclosed |
| US-20150159318-A1 | TREATMENT COMPOSITION FOR TEXTILE GOODS | LION CORPORATION (JP) | 2015-06-11 | — | — | US | disclosed |
| EP-2857579-A1 | TREATMENT AGENT COMPOSITION FOR FIBER PRODUCT | Lion Corporation (JP) | 2015-04-08 | — | — | EP | disclosed |