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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 1/20 | 0.54 |
| ▸ | P2RY10 | O00398 | 10/20 | 0.47 |
| ▸ | GPR34 | Q9UPC5 | 7/20 | 0.47 |
| ▸ | GPR174 | Q9BXC1 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.43 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22762 | 0.91 | P2RY10 (0.55) | FABP3P2RY10GPR34GPR174SMN1; SMN2 | |
| SCHEMBL28180536 | 0.91 | P2RY10 (0.55) | FABP3P2RY10GPR34GPR174SMN1; SMN2 | |
| SCHEMBL27566251 | 0.91 | P2RY10 (0.55) | FABP3P2RY10GPR34GPR174SMN1; SMN2 | |
| Phosphine SCHEMBL28117726 | 0.90 | P2RY10 (0.54) | FABP3P2RY10GPR34GPR174SMN1; SMN2 | |
| SCHEMBL28263018 | 0.90 | P2RY10 (0.54) | FABP3P2RY10GPR34GPR174SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28242944 | 0.90 | P2RY10 (0.54) | FABP3P2RY10GPR34GPR174SMN1; SMN2 | |
| Dimethylaminoethanol SCHEMBL28331606 | 0.87 | P2RY10 (0.47) | FABP3P2RY10GPR34GPR174LPAR1 | |
| SCHEMBL14092739 | 0.84 | P2RY10 (0.53) | P2RY10GPR34GPR174LPAR1LPAR3 | |
| Colfosceril Palmitate SCHEMBL28859088 | 0.83 | SMN1; SMN2 (0.73) | FABP3P2RY10GPR34GPR174SMN1; SMN2 | |
| SCHEMBL28207468 | 0.80 | P2RY10 (0.68) | FABP3P2RY10GPR34GPR174SMN1; SMN2 |
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-108601823-A | Composition for being modified dendrimer nanoparticles vaccine delivery and method | 麻省理工学院 | 2018-09-28 | — | — | CN | disclosed |