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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 SCHEMBL1938782 | 0.90 | POLB (0.42) | CYP3A4MEN1KMT2AGPR84MAPT | |
| SCHEMBL27815030 | 0.81 | MAPT (0.39) | CYP3A4MEN1KMT2AGPR84MAPT | |
| SCHEMBL155191 | 0.80 | MEN1 (0.58) | CYP3A4MEN1KMT2AGPR84MAPT | |
| SCHEMBL29567690 | 0.80 | MEN1 (0.58) | CYP3A4MEN1KMT2AGPR84MAPT | |
| SCHEMBL28624457 | 0.78 | MEN1 (0.56) | CYP3A4MEN1KMT2AGPR84MAPT | |
| Methane SCHEMBL5065725 | 0.78 | MEN1 (0.56) | CYP3A4MEN1KMT2AGPR84MAPT | |
| SCHEMBL10550137 | 0.78 | MEN1 (0.56) | CYP3A4MEN1KMT2AGPR84MAPT | |
| Hydrochloric Acid SCHEMBL28628671 | 0.78 | MEN1 (0.56) | CYP3A4MEN1KMT2AGPR84MAPT | |
| Water SCHEMBL27616945 | 0.78 | MEN1 (0.56) | CYP3A4MEN1KMT2AGPR84MAPT | |
| SCHEMBL27702719 | 0.78 | MEN1 (0.56) | CYP3A4MEN1KMT2AGPR84MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1219628-B1 | Novel substrates for detection of microbial metabolites | BIOSYNTH AG (CH) | 2003-04-02 | — | — | EP | claimed |