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 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | BBOX1 | O75936 | 6/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL18136173 | 0.92 | BBOX1 (0.37) | ALDH1A1LMNABBOX1BCHEACHE | |
| Betaine SCHEMBL5167081 | 0.92 | BBOX1 (0.44) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| Betaine SCHEMBL5166537 | 0.92 | TSHR (0.39) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| Betaine SCHEMBL5180578 | 0.86 | BBOX1 (0.44) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| SCHEMBL11949115 | 0.84 | TSHR (0.35) | TSHRALDH1A1LMNAAPEX1BCHE | |
| SCHEMBL9065100 | 0.83 | BBOX1 (0.42) | BBOX1ADRA1A | |
| Betaine SCHEMBL1704565 | 0.80 | TSHR (0.48) | TSHRALDH1A1LMNAAPEX1BBOX1 | |
| SCHEMBL535704 | 0.78 | BBOX1 (0.39) | BBOX1BCHEACHE | |
| SCHEMBL16271536 | 0.78 | TSHR (0.35) | TSHRALDH1A1LMNAAPEX1 | |
| SCHEMBL6944920 | 0.77 | BBOX1 (0.50) | BBOX1ADRA1A |
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 |