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.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL337937 | 0.95 | MEN1 (0.60) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL337935 | 0.87 | MEN1 (0.63) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL27597535 | 0.85 | MEN1 (0.67) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL27670409 | 0.85 | MEN1 (0.67) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL28213029 | 0.80 | MEN1 (0.48) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL28133687 | 0.80 | MEN1 (0.60) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL28213134 | 0.79 | CYP3A4 (0.87) | CYP3A4SLC5A7MEN1LMNAKMT2A | |
| Choline SCHEMBL30612764 | 0.79 | — | — | |
| Choline SCHEMBL29499824 | 0.79 | — | — | |
| Choline SCHEMBL28574484 | 0.79 | CYP3A4 (1.00) | CYP3A4SLC5A7MEN1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106900256-A | A kind of method for promoting cucumber growth | 中国农业科学院蔬菜花卉研究所 | 2017-06-30 | — | — | CN | disclosed |
| CN-106561650-A | Composition for promoting cucumbers to grow in sub-optimal light and temperature environment | 中国农业科学院蔬菜花卉研究所 | 2017-04-19 | — | — | CN | disclosed |