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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004920 | 0.90 | MAPT (0.42) | CYP2D6TSHRHSD17B10MAPTTHRB | |
| Water SCHEMBL9129677 | 0.89 | MAPT (0.41) | CYP2D6TSHRHSD17B10MAPTTHRB | |
| SCHEMBL7250099 | 0.79 | MAPT (0.56) | HSD17B10MAPTTHRBRECQLALDH1A1 | |
| Betaine SCHEMBL11411049 | 0.78 | MAPT (0.61) | CYP2D6TSHRHSD17B10MAPTTHRB | |
| Betaine SCHEMBL5678666 | 0.74 | HPGD (0.55) | CYP2D6TSHRHSD17B10MAPTTHRB | |
| Betaine SCHEMBL2838681 | 0.74 | MEN1 (0.46) | CYP2D6TSHRHSD17B10MAPTALDH1A1 | |
| Betaine SCHEMBL11485783 | 0.73 | MAPT (0.49) | CYP2D6TSHRHSD17B10MAPTTHRB | |
| SCHEMBL13646792 | 0.71 | MAPT (0.41) | HSD17B10MAPTTHRBRECQLALDH1A1 | |
| Water SCHEMBL10949547 | 0.70 | MAPT (0.33) | CYP2D6TSHRHSD17B10MAPTTHRB | |
| SCHEMBL12376758 | 0.69 | ITGB2 (0.33) | MAPTHPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1200051-B1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KGAA (DE) | 2006-02-01 | — | — | EP | claimed |
| US-6635090-B1 | Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative | L'OREAL, S.A. (FR) | 2003-10-21 | — | — | US | claimed |
| US-6635090-B1 | Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative | L'OREAL, S.A. (FR) | 2003-10-21 | — | — | US | disclosed |