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 | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 8/20 | 0.80 |
| ▸ | LPAR3 | Q9UBY5 | 7/20 | 0.80 |
| ▸ | LPAR1 | Q92633 | 4/20 | 0.80 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.80 |
| ▸ | FABP3 | P05413 | 1/20 | 0.72 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.68 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.68 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.58 |
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 SCHEMBL30888148 | 1.00 | ENPP2 (0.80) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL30899081 | 1.00 | ENPP2 (0.80) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL31297527 | 1.00 | ENPP2 (0.80) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL31297522 | 1.00 | ENPP2 (0.80) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL31297521 | 1.00 | ENPP2 (0.80) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL30953207 | 1.00 | ENPP2 (0.80) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL30953206 | 1.00 | ENPP2 (0.80) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL30899078 | 1.00 | ENPP2 (0.80) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL6704608 | 0.99 | ENPP2 (0.78) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 | |
| Choline SCHEMBL31297520 | 0.99 | ENPP2 (0.77) | ENPP2LPAR3LPAR1SMN1; SMN2FABP3 |
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-116196266-A | Local anesthetic low molecular weight gel, liposome and preparation method thereof | 浙江大学 | 2023-06-02 | — | — | CN | disclosed |