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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | SLC5A7 | Q9GZV3 | 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 | |
|---|---|---|---|---|
| Betaine SCHEMBL11146271 | 0.92 | TSHR (0.45) | TSHRLMNAALDH1A1APEX1 | |
| SCHEMBL11300117 | 0.84 | MEN1 (0.31) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Betaine SCHEMBL11248858 | 0.81 | TSHR (0.44) | TSHRLMNAALDH1A1APEX1 | |
| Betaine SCHEMBL6140416 | 0.73 | TSHR (0.70) | TSHRLMNAALDH1A1APEX1MEN1 | |
| Betaine SCHEMBL11143346 | 0.72 | TSHR (0.50) | TSHRLMNAALDH1A1APEX1MEN1 | |
| Betaine SCHEMBL8636125 | 0.72 | TSHR (0.45) | TSHRLMNAALDH1A1APEX1 | |
| Betaine SCHEMBL8018562 | 0.72 | TSHR (0.45) | TSHRLMNAALDH1A1APEX1 | |
| Betaine SCHEMBL11144340 | 0.70 | TSHR (0.47) | TSHRLMNAALDH1A1APEX1 | |
| Betaine SCHEMBL1072056 | 0.69 | TSHR (0.70) | TSHRLMNAALDH1A1APEX1MEN1 | |
| Betaine SCHEMBL11241957 | 0.69 | TSHR (0.38) | TSHRLMNAALDH1A1APEX1 |
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-4368287-A | POLYESTER CONTAINING AMINO-SULFONIC AMPHOIONIC GROUP | NIPPON PAINT CO., LTD. (JP) | 1983-01-11 | — | — | US | disclosed |
| US-4322324-A | Ampho-ionic group-containing alkyd resins | NIPPON PAINT CO., LTD. (JP) | 1982-03-30 | — | — | US | disclosed |