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 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5162456 | 0.89 | BBOX1 (0.35) | — | |
| Water SCHEMBL5161722 | 0.88 | BBOX1 (0.34) | — | |
| Water SCHEMBL22773556 | 0.88 | BBOX1 (0.34) | — | |
| Betaine SCHEMBL513480 | 0.82 | APEX1 (0.38) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL20582629 | 0.82 | TSHR (0.35) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL14857276 | 0.81 | APEX1 (0.37) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL5171000 | 0.80 | TSHR (0.39) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL5170046 | 0.79 | APEX1 (0.37) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL5171576 | 0.79 | TSHR (0.41) | TSHRALDH1A1LMNAAPEX1 | |
| Betaine SCHEMBL5167813 | 0.78 | TSHR (0.43) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6284854-B1 | NON-CROSSLINKED BIOCOMPATIBLE POLYMER IS FORMED FROM A RADICAL POLYMERISABLE ETHYLENICALLY UNSATURATED ZWITTERIONIC MONOMER CONTAINING A SULPHO-BETAINE ZWITTERIONIC GROUP | BICCOMPATIBLES LIMITED (GB) | 2001-09-04 | — | — | US | disclosed |