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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 SCHEMBL27597535 | 1.00 | MEN1 (0.67) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL28133687 | 0.95 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL337937 | 0.89 | MEN1 (0.60) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL337935 | 0.86 | MEN1 (0.63) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL28133686 | 0.85 | CYP3A4 (0.62) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL3785871 | 0.84 | — | — | |
| Choline SCHEMBL5586408 | 0.84 | — | — | |
| Choline SCHEMBL13169639 | 0.84 | — | — | |
| Choline SCHEMBL14330721 | 0.84 | — | — | |
| Choline SCHEMBL17629823 | 0.84 | MEN1 (0.92) | MEN1KMT2ALMNACYP3A4SLC5A7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1984875-A | Composition comprising choline hydroxide and process for preparing the same | AKZO NOBEL NV (NL) | 2007-06-20 | — | — | CN | disclosed |