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 | 0.71 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.71 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 3/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 SCHEMBL27919583 | 0.94 | — | — | |
| Choline SCHEMBL8994290 | 0.94 | MEN1 (0.80) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL27304568 | 0.90 | CYP3A4 (0.87) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL8383204 | 0.90 | MEN1 (0.75) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL21380518 | 0.87 | MEN1 (0.80) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL16558587 | 0.87 | — | — | |
| Choline SCHEMBL13169639 | 0.87 | — | — | |
| Choline SCHEMBL8012313 | 0.87 | MEN1 (0.92) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL17629823 | 0.87 | MEN1 (0.92) | MEN1KMT2ALMNACYP3A4SLC5A7 | |
| Choline SCHEMBL300867 | 0.87 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103282343-A | Choline analogue as radiotracer | GE HEALTHCARE LTD | 2013-09-04 | — | — | CN | claimed |
| CN-103339100-A | Isotopic carbon choline analogs | GE HEALTHCARE LTD | 2013-10-02 | — | — | CN | disclosed |
| CN-103282343-A | Choline analogue as radiotracer | GE HEALTHCARE LTD | 2013-09-04 | — | — | CN | disclosed |