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 SCHEMBL20533313 | 0.94 | — | — | |
| Choline SCHEMBL20533039 | 0.91 | — | — | |
| SCHEMBL20533129 | 0.89 | NR1I2 (0.47) | — | |
| SCHEMBL20533288 | 0.87 | NR1I2 (0.57) | — | |
| Choline SCHEMBL18584744 | 0.87 | — | — | |
| Choline SCHEMBL20533241 | 0.86 | — | — | |
| SCHEMBL20533106 | 0.86 | — | — | |
| Choline SCHEMBL20533393 | 0.85 | — | — | |
| SCHEMBL20533637 | 0.85 | NR1I2 (0.59) | — | |
| SCHEMBL20533314 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11136301-B2 | Broad spectrum antiviral compounds and uses thereof | The Regents of the University of California, A California Corporation et al. (US) | 2021-10-05 | — | — | US | disclosed |
| US-20180297963-A1 | BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF | THE UNIVERSITY OF MIAMI | 2018-10-18 | — | — | US | disclosed |