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 SCHEMBL8588329 | 0.97 | MEN1 (0.75) | — | |
| Choline SCHEMBL3784390 | 0.96 | — | — | |
| Choline SCHEMBL28091936 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL1615528 | 0.96 | — | — | |
| Choline SCHEMBL396288 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL23036016 | 0.96 | — | — | |
| Choline SCHEMBL27926093 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL27945166 | 0.96 | MEN1 (0.86) | — | |
| Choline SCHEMBL20527931 | 0.93 | — | — | |
| Choline SCHEMBL20490076 | 0.93 | MEN1 (0.80) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5756267-A | QUATERNARY AMMONIUM BASES WITH SURFACTANTS TO DEVELOP SHARP IMAGES | FUJI PHOTO FILM CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |