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 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 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 | |
|---|---|---|---|---|
| Choline SCHEMBL28515010 | 0.98 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL28992904 | 0.98 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL2150380 | 0.98 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL28636470 | 0.97 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL27636047 | 0.96 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL3015875 | 0.89 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL10599453 | 0.88 | ALDH1A1 (0.43) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL10756870 | 0.86 | ALDH1A1 (0.42) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| Choline SCHEMBL28623707 | 0.86 | CYP3A4 (0.46) | ALDH1A1LMNASMN1; SMN2HTTCYP3A4 | |
| SCHEMBL10598268 | 0.85 | ALDH1A1 (0.41) | 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117624930-A | Environment-friendly rubber-plastic fiber composite material for wires and cables and preparation method thereof | 安徽中意胶带有限责任公司 | 2024-03-01 | — | — | CN | claimed |
| CN-115433301-B | Ethylene-vinyl alcohol copolymer and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-02-02 | — | — | CN | claimed |
| CN-117126052-A | Method for preparing diisooctyl adipate by optimizing deep eutectic solvent based on response surface method | 沈阳工业大学 | 2023-11-28 | — | — | CN | claimed |
| CN-115873136-A | Biomass pretreatment method and nano material | 青岛科技大学 | 2023-03-31 | — | — | CN | claimed |
| CN-115433301-A | Ethylene-vinyl alcohol copolymer and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2022-12-06 | — | — | CN | claimed |
| CN-113004895-A | Preparation method of biomass carbon dots based on sulfonic acid type eutectic solvent | 北京理工大学 | 2021-06-22 | — | — | CN | claimed |
| CN-112661737-A | Method for synthesizing coumarin-3-carboxylic acid by low-temperature co-melting liquid catalysis | 浙江工业大学 | 2021-04-16 | — | — | CN | claimed |
| CN-112209360-A | Shrimp shell conversion method based on sulfonic acid type eutectic solvent | 北京理工大学 | 2021-01-12 | — | — | CN | claimed |
| CN-111269115-A | Preparation method of cinnamate in eutectic solvent | 陕西科技大学 | 2020-06-12 | — | — | CN | claimed |
| CN-106928055-B | A method of aspirin is catalyzed and synthesized using choline eutectic solvent | 南阳理工学院 | 2019-11-29 | — | — | CN | claimed |
| CN-118006023-A | Method for preparing light Fu Jiao carbon black filler by taking corn straw as raw material | 齐鲁工业大学(山东省科学院) | 2024-05-10 | — | — | CN | disclosed |
| CN-117624930-A | Environment-friendly rubber-plastic fiber composite material for wires and cables and preparation method thereof | 安徽中意胶带有限责任公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-117569104-A | Method for preprocessing lignocellulose by glyoxylate-assisted eutectic solvent and co-producing high-quality lignin and fermentable sugar | 中国林业科学研究院林产化学工业研究所 | 2024-02-20 | — | — | CN | disclosed |
| CN-115433301-B | Ethylene-vinyl alcohol copolymer and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-02-02 | — | — | CN | disclosed |
| CN-117402092-A | Green synthesis method of gamma-carbonyl sulfone compound | 常州工程职业技术学院 | 2024-01-16 | — | — | CN | disclosed |
| CN-106928055-B | A method of aspirin is catalyzed and synthesized using choline eutectic solvent | 南阳理工学院 | 2019-11-29 | — | — | CN | disclosed |
| CN-107312172-B | A kind of preparation method of micro-nano structure polyaniline material | 中北大学 | 2019-08-09 | — | — | CN | disclosed |
| CN-107446132-A | The preparation method of polyaniline nano material | 中北大学 | 2017-12-08 | — | — | CN | disclosed |
| CN-107312172-A | A kind of preparation method of micro-nano structure polyaniline material | 中北大学 | 2017-11-03 | — | — | CN | disclosed |
| CN-106928055-A | A kind of method that use choline eutectic solvent catalyzes and synthesizes aspirin | 南阳理工学院 | 2017-07-07 | — | — | CN | disclosed |