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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 2/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| Choline SCHEMBL27883877 | 0.86 | MEN1 (0.34) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Ethylene Glycol SCHEMBL2336848 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL908616 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHR | |
| Choline SCHEMBL28025633 | 0.80 | TSHR (0.36) | LMNACYP3A4TSHR | |
| Choline SCHEMBL21587444 | 0.77 | THRB (0.42) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| SCHEMBL28151167 | 0.76 | CHRM5 (0.38) | LMNAGALR3CHRM5CHRM1CHRM3 | |
| Choline SCHEMBL29084705 | 0.76 | TSHR (0.33) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL27577904 | 0.75 | BBOX1 (0.43) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| SCHEMBL30877085 | 0.72 | SMN1; SMN2 (0.46) | LMNAGALR3CHRM5CHRM1CHRM3 | |
| Choline SCHEMBL28428557 | 0.72 | GALR3 (0.40) | MEN1LMNAKMT2ACYP3A4SLC5A7 |
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-112972428-B | Mesoporous silicon-based drug carrier coated by zwitterionic polymer film and preparation method thereof | 石河子大学 | 2022-03-08 | — | — | CN | disclosed |
| CN-112972428-A | Mesoporous silicon-based drug carrier coated by zwitterionic polymer film and preparation method thereof | 石河子大学 | 2021-06-18 | — | — | CN | disclosed |