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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | FAAH | O00519 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CASP2 | P42575 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6239701 | 0.92 | CASP2 (0.47) | EPHX2FAAHALDH1A1CASP2NAAA | |
| SCHEMBL6238035 | 0.92 | CASP2 (0.47) | EPHX2FAAHALDH1A1CASP2NAAA | |
| SCHEMBL6237088 | 0.92 | CASP2 (0.47) | EPHX2FAAHALDH1A1CASP2NAAA | |
| SCHEMBL6242456 | 0.92 | CASP2 (0.47) | EPHX2FAAHALDH1A1CASP2NAAA | |
| Water SCHEMBL6236533 | 0.91 | CASP2 (0.46) | EPHX2FAAHALDH1A1CASP2NAAA | |
| SCHEMBL28221623 | 0.90 | CASP2 (0.47) | EPHX2FAAHALDH1A1CASP2NAAA | |
| SCHEMBL18655676 | 0.89 | CASP2 (0.48) | EPHX2FAAHALDH1A1CASP2NAAA | |
| SCHEMBL15057437 | 0.87 | FAAH (0.44) | EPHX2FAAHALDH1A1CASP2NAAA | |
| SCHEMBL15057406 | 0.87 | FAAH (0.44) | EPHX2FAAHALDH1A1CASP2NAAA | |
| Betaine SCHEMBL4254026 | 0.87 | PSMD14 (0.43) | ALDH1A1DNM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6911291-B2 | Recording material having a negative-working, radiation-sensitive layer which comprises additives for promoting developability | AGFA-GEVAERT (BE) | 2005-06-28 | — | — | US | disclosed |
| US-20020123001-A1 | Recording material having a negative-working, radiation-sensitive layer which comprises additives for promoting developability | AGFA GRAPHICS NV (BE) | 2002-09-05 | — | — | US | disclosed |
| EP-1217446-A1 | Recording material having a negative-working, radiation-sensitive layer which comprises additives for promoting developability | Agfa-Gevaert (BE) | 2002-06-26 | — | — | EP | disclosed |