Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Choline. 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 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Choline SCHEMBL28154995 | 0.98 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL28992904 | 0.97 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL2150380 | 0.96 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL28636470 | 0.95 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL27636047 | 0.95 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL3015875 | 0.88 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL10599453 | 0.86 | ALDH1A1 (0.43) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL10756870 | 0.85 | ALDH1A1 (0.42) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL28623707 | 0.84 | CYP3A4 (0.46) | ALDH1A1LMNASMN1; SMN2HTTCYP3A4 | |
| SCHEMBL9439837 | 0.83 | LMNA (0.42) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-114105769-A | Method for catalytically synthesizing n-propyl cinnamate based on choline chloride eutectic solvent | 华东理工大学 | 2022-03-01 | — | — | CN | claimed |
| CN-112142705-B | Method for synthesizing cromolyn sodium key intermediate 7-hydroxy-4-methylcoumarin | 浙江工业大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-113198428-B | Method for preparing three-dimensional multifunctional adsorbing material in situ by using corn pith and application thereof | 深圳信息职业技术学院 | 2022-04-12 | — | — | CN | disclosed |
| CN-114105769-A | Method for catalytically synthesizing n-propyl cinnamate based on choline chloride eutectic solvent | 华东理工大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-114105769-A | Method for catalytically synthesizing n-propyl cinnamate based on choline chloride eutectic solvent | 华东理工大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-112142705-A | Method for synthesizing cromolyn sodium key intermediate 7-hydroxy-4-methylcoumarin | 浙江工业大学 | 2020-12-29 | — | — | CN | disclosed |