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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | PTAFR | P25105 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL28788068 | 0.88 | TSHR (0.45) | TSHRLPAR3LPAR1LPAR2CYP3A4 | |
| SCHEMBL28325466 | 0.84 | TSHR (0.51) | TSHRLPAR3LPAR1LPAR2CYP3A4 | |
| SCHEMBL28151167 | 0.84 | CHRM5 (0.38) | TSHRLMNAESR1ADORA3CDC25A | |
| SCHEMBL18043472 | 0.83 | TSHR (0.54) | TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL21051160 | 0.83 | TSHR (0.54) | TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL22401201 | 0.83 | TSHR (0.54) | TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL6577522 | 0.83 | TSHR (0.54) | TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL27785452 | 0.83 | TSHR (0.54) | TSHRLPAR3LPAR1LPAR2 | |
| Choline SCHEMBL27934070 | 0.82 | TSHR (0.41) | TSHRLMNAESR1ADORA3CDC25A | |
| Choline SCHEMBL28574563 | 0.80 | MEN1 (0.38) | TSHRLMNACYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104812857-B | Hydrophilic coating agent | 大阪有机化学工业株式会社 | 2017-12-05 | — | — | CN | disclosed |
| CN-104812857-A | Hydrophilic coating agent | OSAKA ORGANIC CHEM IND | 2015-07-29 | — | — | CN | disclosed |