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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6662491 | 0.79 | ALDH1A1 (0.39) | — | |
| Citric Acid SCHEMBL15324017 | 0.77 | ALDH1A1 (0.48) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| SCHEMBL5481783 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL28566521 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL7617479 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL27485250 | 0.75 | ALDH1A1 (0.36) | — | |
| Choline SCHEMBL338525 | 0.73 | MEN1 (0.63) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL15322511 | 0.71 | MEN1 (0.32) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL993189 | 0.71 | LMNA (0.60) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL993190 | 0.71 | MEN1 (0.60) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2836833-A1 | PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 | Wayne State University (US) | 2015-02-18 | — | — | EP | disclosed |
| WO-2013155456-A1 | PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 | WAYNE STATE UNIVERSITY (US) | 2013-10-17 | — | — | WO | disclosed |