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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | APEX1 | P27695 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| Betaine SCHEMBL5836146 | 0.96 | BBOX1 (0.46) | BBOX1TSHRAPEX1ALDH1A1LMNA | |
| Betaine SCHEMBL5169156 | 0.96 | BBOX1 (0.43) | BBOX1TSHRAPEX1ALDH1A1LMNA | |
| SCHEMBL10041769 | 0.88 | BBOX1 (0.53) | BBOX1TSHRAPEX1ALDH1A1THRB | |
| Betaine SCHEMBL5167219 | 0.87 | APEX1 (0.44) | BBOX1TSHRAPEX1ALDH1A1LMNA | |
| Water SCHEMBL7094496 | 0.87 | BBOX1 (0.51) | BBOX1TSHRAPEX1ALDH1A1THRB | |
| Betaine SCHEMBL5171000 | 0.85 | TSHR (0.39) | BBOX1TSHRAPEX1ALDH1A1LMNA | |
| Betaine SCHEMBL5168682 | 0.85 | TSHR (0.39) | BBOX1TSHRAPEX1ALDH1A1LMNA | |
| Betaine SCHEMBL5171074 | 0.84 | TSHR (0.38) | BBOX1TSHRAPEX1ALDH1A1LMNA | |
| SCHEMBL15693666 | 0.82 | TSHR (0.53) | BBOX1TSHRAPEX1ALDH1A1LMNA | |
| Betaine SCHEMBL6062726 | 0.82 | APEX1 (0.48) | TSHRAPEX1ALDH1A1LMNATHRB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773591-A1 | THERMALLY SWITCHABLE IMAGEABLE ELEMENTS CONTAINING BETAINE-CONTAINING CO-POLYMERS | EASTMAN KODAK COMPANY (US) | 2007-04-18 | — | — | EP | disclosed |
| US-7029805-B2 | Imageable element with masking layer comprising betaine-containing co-polymers | EASTMAN KODAK COMPANY (US) | 2006-04-18 | — | — | US | disclosed |
| US-20060051700-A1 | IMAGEABLE ELEMENT WITH MASKING LAYER COMPRISING BETAINE-CONTAINING CO-POLYMERS | CITICORP NORTH AMERICA, INC., AS AGENT | 2006-03-09 | — | — | US | disclosed |
| US-7008751-B2 | Thermally switchable imageable elements containing betaine-containing co-polymers | EASTMAN KODAK COMPANY (US) | 2006-03-07 | — | — | US | disclosed |
| WO-2006017379-A1 | THERMALLY SWITCHABLE IMAGEABLE ELEMENTS CONTAINING BETAINE-CONTAINING CO-POLYMERS | EASTMAN KODAK COMPANY (US) | 2006-02-16 | — | — | WO | disclosed |
| US-20060029881-A1 | THERMALLY SWITCHABLE IMAGEABLE ELEMENTS CONTAINING BETAINE-CONTAINING CO-POLYMERS | CITICORP NORTH AMERICA, INC., AS AGENT | 2006-02-09 | — | — | US | disclosed |