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 SCHEMBL3783744 | 0.93 | MEN1 (0.80) | — | |
| Choline SCHEMBL3783748 | 0.93 | — | — | |
| Choline SCHEMBL14330721 | 0.93 | — | — | |
| Choline SCHEMBL17629823 | 0.93 | MEN1 (0.92) | — | |
| Choline SCHEMBL29394392 | 0.93 | — | — | |
| Choline SCHEMBL300867 | 0.93 | MEN1 (0.92) | — | |
| Choline SCHEMBL13169639 | 0.93 | — | — | |
| Choline SCHEMBL8012313 | 0.93 | MEN1 (0.92) | — | |
| Choline SCHEMBL16558587 | 0.93 | — | — | |
| Choline SCHEMBL27261423 | 0.93 | — | — |
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-4028307-A | CONTINUOUS PROCESS, POLYETHYLENE TEREPHTHALATE | FIBER INDUSTRIES, INC. (US) | 1977-06-07 | — | — | US | disclosed |