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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 7/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GRK2 | P25098 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28306241 | 0.89 | BBOX1 (0.36) | LMNABBOX1ENPP2MEN1POLB | |
| SCHEMBL14608705 | 0.84 | BBOX1 (0.37) | LMNABBOX1ENPP2MEN1POLB | |
| Betaine SCHEMBL1704565 | 0.82 | TSHR (0.48) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL1325509 | 0.81 | TSHR (0.38) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL5613071 | 0.81 | TSHR (0.35) | TSHRLMNAALDH1A1APEX1 | |
| Betaine SCHEMBL5171000 | 0.81 | TSHR (0.39) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL513480 | 0.81 | APEX1 (0.38) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL8018655 | 0.80 | TSHR (0.45) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL8018560 | 0.80 | TSHR (0.45) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL14857276 | 0.80 | APEX1 (0.37) | TSHRLMNAALDH1A1APEX1BBOX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6733123-B2 | Hydrogel contact lenses of high biocompatibility | WOHLK CONTACT-LINSEN GMBH (DE) | 2004-05-11 | — | — | US | disclosed |
| US-20020180927-A1 | Hydrogel contact lenses of high biocompatibility | WOHIK CONTACT-LINSEN GMBH (DE) | 2002-12-05 | — | — | US | disclosed |