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 SCHEMBL17629823 | 1.00 | MEN1 (0.92) | — | |
| Choline SCHEMBL3142 | 1.00 | — | — | |
| Choline SCHEMBL8012313 | 1.00 | MEN1 (0.92) | — | |
| Choline SCHEMBL14330721 | 1.00 | — | — | |
| Choline SCHEMBL13169639 | 1.00 | — | — | |
| Choline SCHEMBL27261423 | 1.00 | — | — | |
| Choline SCHEMBL29394392 | 1.00 | — | — | |
| Choline SCHEMBL300867 | 1.00 | MEN1 (0.92) | — | |
| Choline SCHEMBL23036016 | 0.96 | — | — | |
| Choline SCHEMBL9752221 | 0.96 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150071861-A1 | POLYMER, CONTRAST AGENT FOR NUCLEAR MAGNETIC RESONANCE ANALYSIS OR MAGNETIC RESONANCE IMAGING USING THE POLYMER, COMPOUND AND METHOD OF NUCLEAR MAGNETIC RESONANCE ANALYSIS AND METHOD OF MAGNETIC RESONANCE IMAGING USING THE POLYMER | CANON KABUSHIKI KAISHA (JP) | 2015-03-12 | — | — | US | disclosed |
| US-20130202530-A1 | NOVEL RADIOTRACER | IMPERIAL COLLEGE (GB) | 2013-08-08 | — | — | US | disclosed |
| US-20130178653-A1 | NOVEL PRECURSOR OF RADIOLABELLED CHOLINE ANALOG COMPOUNDS | IMPERIAL COLLEGE (GB) | 2013-07-11 | — | — | US | disclosed |
| US-20120328518-A1 | PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS | PIRAMAL IMAGING SA (CH) | 2012-12-27 | — | — | US | disclosed |