Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Glycinebetaine. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tetramethylammonium Ion SCHEMBL241921 | 0.82 | GAA (0.54) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL6909421 | 0.82 | GAA (0.59) | ALDH1A1LMNAKDM4EMAPTHTT | |
| Hydrogen Sulfide SCHEMBL3890575 | 0.82 | GAA (0.59) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL11704592 | 0.81 | CYP2C9 (0.45) | ALDH1A1LMNAKDM4EMAPTHTT | |
| Bicarbonate SCHEMBL28127133 | 0.81 | GAA (0.52) | ALDH1A1LMNAKDM4EMAPTHTT | |
| Bicarbonate SCHEMBL28126521 | 0.81 | GAA (0.52) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL1705904 | 0.80 | GAA (0.62) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL31313 | 0.80 | GAA (0.62) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL34 | 0.80 | GAA (0.62) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL5068661 | 0.80 | GAA (0.62) | ALDH1A1LMNAKDM4EMAPTHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115772-B1 | A POLYMERIC PIGMENT DISPERSANT HAVING AN ACRYLIC BACKBONE, POLYESTER SIDE CHAINS, CYCLIC IMIDE GROUPS AND QUATERNARY AMMONIUM GROUPS | DU PONT (US) | 2004-04-07 | — | — | EP | disclosed |
| EP-1115772-A1 | A POLYMERIC PIGMENT DISPERSANT HAVING AN ACRYLIC BACKBONE, POLYESTER SIDE CHAINS, CYCLIC IMIDE GROUPS AND QUATERNARY AMMONIUM GROUPS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2001-07-18 | — | — | EP | disclosed |
| US-6037414-A | USEFUL IN SOLVENT BORNE COATINGS WHERE THEY PROVIDE IMPROVED EFFICIENCY OF PIGMENT USE, LOWER PAINT VISCOSITY, REDUCED EMISSION OF VOLATILE SOLVENTS | E. I. DU PONT NEMOURS AND COMPANY (US) | 2000-03-14 | — | — | US | disclosed |
| WO-2000012582-A1 | A POLYMERIC PIGMENT DISPERSANT HAVING AN ACRYLIC BACKBONE, POLYESTER SIDE CHAINS, CYCLIC IMIDE GROUPS AND QUATERNARY AMMONIUM GROUPS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-03-09 | — | — | WO | disclosed |