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 | |
|---|---|---|---|---|
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | GMNN | O75496 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | SLC25A20 | O43772 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4936173 | 0.87 | DGKA (0.50) | DGKAMAPTMAPK1LMNAMEN1 | |
| SCHEMBL7046887 | 0.87 | DGKA (0.50) | DGKAMAPTMAPK1LMNAMEN1 | |
| SCHEMBL31285293 | 0.87 | DGKA (0.50) | DGKAMAPTMAPK1LMNAMEN1 | |
| SCHEMBL27321456 | 0.80 | DGKA (0.39) | DGKAMAPTMAPK1LMNAMEN1 | |
| Choline SCHEMBL30038683 | 0.75 | PSMD14 (0.39) | MAPTMEN1KMT2ATP53TSHR | |
| SCHEMBL6545080 | 0.75 | TSHR (0.42) | DGKALMNATSHRCYP1A2GLA | |
| Choline SCHEMBL5069270 | 0.74 | SMN1; SMN2 (0.49) | MAPTMAPK1LMNAMEN1GMNN | |
| Choline SCHEMBL27622494 | 0.74 | DGKA (0.52) | DGKAMAPTLMNAMEN1KMT2A | |
| Choline SCHEMBL28707352 | 0.74 | PSMD14 (0.42) | MAPTHSP90AA1 | |
| SCHEMBL1595383 | 0.74 | TSHR (0.44) | LMNAMEN1KMT2ATSHRPMP22 |
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 |