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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL3307199 | 0.97 | CYP3A4 (0.87) | — | |
| Choline SCHEMBL15322406 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL8714154 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL15322783 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL339837 | 0.96 | — | — | |
| Choline SCHEMBL15323716 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL326079 | 0.96 | — | — | |
| Choline SCHEMBL7069165 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL8740332 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL3721803 | 0.96 | MEN1 (0.86) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116251137-B | Method for extracting flavonoid compounds from caulis spatholobi | 北京农学院 | 2024-01-30 | — | — | CN | disclosed |
| CN-116251137-A | Method for extracting flavonoid compounds from caulis spatholobi | 北京农学院 | 2023-06-13 | — | — | CN | disclosed |
| US-4334022-A | BY CULTIVATING IN A CULTURE MEDIUM CONTAINING AN N-METHYL COMPOUND | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-06-08 | — | — | US | disclosed |