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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | APEX1 | P27695 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL5168052 | 1.00 | TSHR (0.43) | TSHRAPEX1HTTPOLBTDP1 | |
| Betaine SCHEMBL5166598 | 1.00 | TSHR (0.43) | TSHRAPEX1HTTPOLBTDP1 | |
| Betaine SCHEMBL5167813 | 1.00 | TSHR (0.43) | TSHRAPEX1HTTPOLBTDP1 | |
| Betaine SCHEMBL5171576 | 0.99 | TSHR (0.41) | TSHRAPEX1HTTPOLBTDP1 | |
| Betaine SCHEMBL5171000 | 0.95 | TSHR (0.39) | TSHRAPEX1HTTPOLBTDP1 | |
| Betaine SCHEMBL5171074 | 0.94 | TSHR (0.38) | TSHRAPEX1HTTPOLBTDP1 | |
| Betaine SCHEMBL513480 | 0.93 | APEX1 (0.38) | TSHRAPEX1HTTPOLBTDP1 | |
| Betaine SCHEMBL5170046 | 0.92 | APEX1 (0.37) | TSHRAPEX1HTTPOLBTDP1 | |
| Betaine SCHEMBL14857276 | 0.92 | APEX1 (0.37) | TSHRAPEX1HTTPOLBTDP1 | |
| SCHEMBL29217621 | 0.91 | TSHR (0.51) | TSHRAPEX1HTTPOLBTDP1 |
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 |