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 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | FABP3 | P05413 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.35 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL101267 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2FABP3LMNAMEN1KMT2A | |
| SCHEMBL5019714 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2FABP3LMNAMEN1KMT2A | |
| SCHEMBL157824 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2FABP3LMNAMEN1KMT2A | |
| SCHEMBL8899300 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2FABP3LMNAMEN1KMT2A | |
| SCHEMBL27168721 | 0.95 | SMN1; SMN2 (0.69) | SMN1; SMN2FABP3LMNAMEN1KMT2A | |
| Glycerin SCHEMBL28844000 | 0.94 | SMN1; SMN2 (0.68) | SMN1; SMN2FABP3LMNAMEN1KMT2A | |
| Glycerin SCHEMBL28844001 | 0.94 | SMN1; SMN2 (0.68) | SMN1; SMN2FABP3LMNAMEN1KMT2A | |
| SCHEMBL14950221 | 0.86 | SMN1; SMN2 (0.57) | SMN1; SMN2FABP3LMNASELPPLA2G2C | |
| SCHEMBL18471995 | 0.85 | SMN1; SMN2 (0.56) | SMN1; SMN2FABP3LMNAMEN1KMT2A | |
| Choline SCHEMBL1009005 | 0.84 | SMN1; SMN2 (0.58) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4304354-A1 | NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES | BASF SE (DE) | 2024-01-17 | — | — | EP | disclosed |
| WO-2022189208-A1 | NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES | BASF SE (DE) | 2022-09-15 | — | — | WO | disclosed |