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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMD14 | O00487 | 2/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.38 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 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 | |
|---|---|---|---|---|
| SCHEMBL9842167 | 0.88 | GPR84 (0.44) | LCKPPARDZDHHC20ZDHHC2GPR84 | |
| SCHEMBL28707355 | 0.85 | GPR84 (0.41) | PSMD14PLA2G1BMMP2ATG4BRAD52 | |
| SCHEMBL19475641 | 0.83 | FFAR1 (0.47) | LCKPPARDZDHHC20ZDHHC2GPR84 | |
| SCHEMBL19475644 | 0.83 | FFAR1 (0.47) | LCKPPARDZDHHC20ZDHHC2GPR84 | |
| SCHEMBL10420255 | 0.80 | FFAR1 (0.47) | LCKPPARDZDHHC20ZDHHC2GPR84 | |
| SCHEMBL28689210 | 0.79 | — | — | |
| SCHEMBL28689212 | 0.79 | — | — | |
| Choline SCHEMBL30038683 | 0.79 | PSMD14 (0.39) | PSMD14PLA2G1BMMP2ATG4BRAD52 | |
| SCHEMBL16145708 | 0.79 | GPR84 (0.41) | LCKPPARDZDHHC20ZDHHC2GPR84 | |
| SCHEMBL16667090 | 0.76 | — | — |
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-114075236-B | Foamless silicon branched fatty acid ionic liquid surfactant and preparation method thereof | 江南大学 | 2022-10-18 | — | — | CN | disclosed |
| CN-114075236-A | Foamless silicon branched fatty acid ionic liquid surfactant and preparation method thereof | 江南大学 | 2022-02-22 | — | — | CN | disclosed |