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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
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 SCHEMBL1938812 | 0.92 | — | — | |
| SCHEMBL153944 | 0.83 | ALDH1A1 (0.37) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL27834670 | 0.83 | — | — | |
| Phosphine SCHEMBL27314409 | 0.82 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL5268855 | 0.79 | ALDH1A1 (0.35) | MEN1KMT2AALDH1A1MAPTHPGD | |
| Choline SCHEMBL156119 | 0.78 | HTR2A (0.38) | — | |
| Acetic Acid SCHEMBL4229015 | 0.78 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1MAPTHPGD | |
| Acetic Acid SCHEMBL1278526 | 0.78 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1MAPTHPGD | |
| Phosphoric Acid SCHEMBL435169 | 0.76 | ALDH1A1 (0.33) | MEN1KMT2AALDH1A1MAPTHPGD | |
| Sulfuric Acid SCHEMBL4223494 | 0.76 | CA1 (0.34) | MEN1KMT2AALDH1A1MAPTHPGD |
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 |