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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.93 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.93 |
| ▸ | MEN1 | O00255 | 5/20 | 0.80 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.80 |
| ▸ | LMNA | P02545 | 3/20 | 0.80 |
| ▸ | APEX1 | P27695 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 SCHEMBL28574484 | 0.96 | CYP3A4 (1.00) | CYP3A4SLC5A7MEN1KMT2ALMNA | |
| Choline SCHEMBL30612764 | 0.96 | — | — | |
| Choline SCHEMBL18986780 | 0.96 | — | — | |
| Choline SCHEMBL14957 | 0.96 | — | — | |
| Choline SCHEMBL1330530 | 0.96 | — | — | |
| Choline SCHEMBL2459999 | 0.96 | CYP3A4 (1.00) | CYP3A4SLC5A7MEN1KMT2ALMNA | |
| Choline SCHEMBL29499824 | 0.96 | — | — | |
| Choline SCHEMBL1332010 | 0.96 | — | — | |
| Choline SCHEMBL9391204 | 0.96 | CYP3A4 (1.00) | CYP3A4SLC5A7MEN1KMT2ALMNA | |
| Choline SCHEMBL9141711 | 0.93 | CYP3A4 (0.93) | CYP3A4SLC5A7MEN1KMT2ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10835999-B2 | Solder flux | UNIVERSITY OF LEICESTER (GB) | 2020-11-17 | — | — | US | disclosed |
| US-7420071-B2 | Urethanes, ureas or esters of thiocarbamic acid, for use with fillers in the preparation of polymer composites and nanocomposites; compatibility between the filler and hydrophobic polymers such as polyolefins | UCHICAGO ARGONNE, LLC (US) | 2008-09-02 | — | — | US | disclosed |
| US-20060252851-A1 | Urethanes, ureas or esters of thiocarbamic acid, for use with fillers in the preparation of polymer composites and nanocomposites; compatibility between the filler and hydrophobic polymers such as polyolefins | THE UNIVERSITY OF CHICAGO | 2006-11-09 | — | — | US | disclosed |