Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL29160398 | 0.90 | CYP3A4 (0.56) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL28047635 | 0.88 | MEN1 (0.52) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL29808275 | 0.84 | CA2 (0.41) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL28501392 | 0.79 | CYP3A4 (0.48) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Trifluoromethanesulfonamide SCHEMBL28047636 | 0.78 | LMNA (0.50) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Trifluoromethanesulfonamide SCHEMBL28047774 | 0.78 | LMNA (0.50) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL3785097 | 0.78 | MEN1 (0.50) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL28318708 | 0.77 | CYP3A4 (0.68) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL393397 | 0.76 | MEN1 (0.67) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL27857086 | 0.76 | MEN1 (0.43) | CYP3A4SLC5A7MEN1LMNAKMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113801041-B | Preparation method of hydroxyethyl sodium sulfonate | 万华化学集团股份有限公司（CN） | 2023-01-13 | — | — | CN | claimed |
| CN-111995550-B | Preparation method of sodium cocoyl isethionate | 万华化学集团股份有限公司 | 2022-09-20 | — | — | CN | claimed |
| CN-113801041-A | Preparation method of sodium isethionate | 万华化学集团股份有限公司 | 2021-12-17 | — | — | CN | claimed |
| CN-111995550-A | Preparation method of sodium cocoyl isethionate | 万华化学集团股份有限公司 | 2020-11-27 | — | — | CN | claimed |
| CN-113801041-B | Preparation method of hydroxyethyl sodium sulfonate | 万华化学集团股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-111995550-B | Preparation method of sodium cocoyl isethionate | 万华化学集团股份有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-113801041-A | Preparation method of sodium isethionate | 万华化学集团股份有限公司 | 2021-12-17 | — | — | CN | disclosed |
| CN-111995550-A | Preparation method of sodium cocoyl isethionate | 万华化学集团股份有限公司 | 2020-11-27 | — | — | CN | disclosed |