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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA known ✓ | Q07869 | 8/20 | 0.43 |
| ▸ | PPARG | P37231 | 8/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.38 |
| ▸ | EDNRA | P25101 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 3/20 | 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 | |
|---|---|---|---|---|
| Glycinebetaine SCHEMBL7022972 | 0.82 | PPARG (0.41) | PPARAPPARGCYP2C19PPARDCYP2C9 | |
| SCHEMBL7033474 | 0.82 | PPARA (0.47) | PPARAPPARGCYP2C19PPARDCYP2C9 | |
| Potassium Ion SCHEMBL11787600 | 0.82 | PPARA (0.47) | PPARAPPARGCYP2C19PPARDCYP2C9 | |
| Fenofibric Acid SCHEMBL29366346 | 0.80 | PPARA (0.58) | PPARAPPARGCYP2C19PPARDCYP2C9 | |
| SCHEMBL7022310 | 0.75 | CHRM2 (0.51) | PPARAPPARGCYP1A2CYP3A4CHRM2 | |
| Choline SCHEMBL28264962 | 0.74 | CHRM2 (0.42) | MAPTMEN1CYP3A4KMT2ACHRM2 | |
| Benzoic Acid SCHEMBL2196273 | 0.73 | CA2 (0.57) | EDNRBEDNRAMEN1CYP3A4KMT2A | |
| Choline SCHEMBL7022305 | 0.71 | LMNA (0.49) | PPARAPPARGCYP2C19CYP2C9MAPT | |
| Pivalate SCHEMBL3195315 | 0.71 | LMNA (0.55) | CYP2C19MAPTMEN1CYP3A4KMT2A | |
| Phthalic Acid SCHEMBL7100569 | 0.71 | MEN1 (0.44) | CYP2C19CYP2C9EDNRBEDNRAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0997453-B1 | Phenoxyisobutyric acid ammonium salts and pharmaceutical formulations containing them | FATRO SPA (IT) | 2003-02-05 | — | — | EP | claimed |
| EP-0997453-A1 | Phenoxyisobutyric acid ammonium salts and pharmaceutical formulations containing them | FATRO S.p.A. (IT) | 2000-05-03 | — | — | EP | claimed |
| EP-0997453-B1 | Phenoxyisobutyric acid ammonium salts and pharmaceutical formulations containing them | FATRO SPA (IT) | 2003-02-05 | — | — | EP | disclosed |
| EP-0997453-A1 | Phenoxyisobutyric acid ammonium salts and pharmaceutical formulations containing them | FATRO S.p.A. (IT) | 2000-05-03 | — | — | EP | disclosed |