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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.80 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.80 |
| ▸ | LMNA | P02545 | 3/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.80 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.80 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | APEX1 | P27695 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
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 SCHEMBL28885897 | 1.00 | — | — | |
| Choline SCHEMBL326079 | 0.96 | — | — | |
| Choline SCHEMBL8714154 | 0.96 | MEN1 (0.86) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL339837 | 0.96 | — | — | |
| Choline SCHEMBL15322406 | 0.96 | MEN1 (0.86) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL1906391 | 0.96 | — | — | |
| Choline SCHEMBL15323716 | 0.96 | MEN1 (0.86) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL15322783 | 0.96 | MEN1 (0.86) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL15322769 | 0.96 | MEN1 (0.86) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL9543255 | 0.96 | MEN1 (0.86) | 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-109580834-A | Detection method in relation to substance in a kind of pharmaceutical preparation containing C14H25N4NaO11P2 | 辰欣药业股份有限公司 | 2019-04-05 | — | — | CN | disclosed |