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 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 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 SCHEMBL8018560 | 0.90 | TSHR (0.45) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| Betaine SCHEMBL11241957 | 0.89 | TSHR (0.38) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL8031375 | 0.88 | TSHR (0.40) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL11241340 | 0.88 | TSHR (0.42) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL8028213 | 0.87 | DNM1 (0.40) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL8028207 | 0.87 | DNM1 (0.40) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL11144340 | 0.85 | TSHR (0.47) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL10728303 | 0.84 | TSHR (0.54) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| Betaine SCHEMBL8018655 | 0.84 | TSHR (0.45) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| Betaine SCHEMBL8018562 | 0.84 | TSHR (0.45) | TSHRALDH1A1LMNAAPEX1BBOX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4322324-A | Ampho-ionic group-containing alkyd resins | NIPPON PAINT CO., LTD. (JP) | 1982-03-30 | — | — | US | disclosed |