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 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | BBOX1 | O75936 | 5/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | OR51E2 | Q9H255 | 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 SCHEMBL6917420 | 0.82 | TSHR (0.38) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL5167219 | 0.80 | APEX1 (0.44) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL5167095 | 0.80 | TSHR (0.41) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL5166537 | 0.77 | TSHR (0.39) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL5169156 | 0.77 | BBOX1 (0.43) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| Betaine SCHEMBL5965072 | 0.75 | TSHR (0.64) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| SCHEMBL14608701 | 0.75 | BBOX1 (0.43) | TSHRLMNAALDH1A1APEX1BBOX1 | |
| SCHEMBL33889 | 0.75 | ACHE (0.46) | TSHRLMNAALDH1A1ACHEMAPK1 | |
| SCHEMBL1578754 | 0.74 | BBOX1 (0.50) | BBOX1ACHE | |
| Iodide SCHEMBL8612631 | 0.73 | ACHE (0.44) | TSHRLMNAALDH1A1ACHEMAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440977-B1 | NEGATIVE-WORKING IMAGEABLE ELEMENTS | EASTMAN KODAK CO (US) | 2017-03-15 | — | — | EP | disclosed |
| US-8257907-B2 | Negative-working imageable elements | EASTMAN KODAK COMPANY (US) | 2012-09-04 | — | — | US | disclosed |
| EP-2440977-A1 | NEGATIVE-WORKING IMAGEABLE ELEMENTS | Eastman Kodak Company (US) | 2012-04-18 | — | — | EP | disclosed |
| US-20100316850-A1 | NEGATIVE-WORKING IMAGEABLE ELEMENTS | BANK OF AMERICA, N.A., AS AGENT | 2010-12-16 | — | — | US | disclosed |
| WO-2010144119-A1 | NEGATIVE-WORKING IMAGEABLE ELEMENTS | EASTMAN KODAK COMPANY (US) | 2010-12-16 | — | — | WO | disclosed |