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 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.48 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.39 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
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 SCHEMBL29033638 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL16618495 | 0.94 | SMN1; SMN2 (0.51) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL21693630 | 0.89 | LMNA (0.50) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL7169119 | 0.87 | LMNA (0.63) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL136983 | 0.87 | MEN1 (0.63) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL9447076 | 0.84 | MEN1 (0.60) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL3304484 | 0.84 | CYP3A4 (0.68) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL4207428 | 0.84 | LMNA (0.68) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL9447024 | 0.84 | MEN1 (0.60) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL28375564 | 0.84 | MEN1 (0.60) | 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 |
|---|---|---|---|---|---|---|---|
| US-20160207879-A1 | METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS AND DERIVATIVES THEREOF FROM OIL GUMS | INVENTURE RENEWABLES INC (US) | 2016-07-21 | — | — | US | disclosed |
| WO-2015050656-A2 | METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS DERIVATIVES THEREOF FROM OIL GUMS | INVENTURE RENEWABLES, INC. (US) | 2015-04-09 | — | — | WO | disclosed |