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 | |
|---|---|---|---|---|
| ▸ | PPARA known ✓ | Q07869 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7032525 | 0.85 | LMNA (0.56) | LMNAMTNR1AMTNR1BCYP2D6ADRB2 | |
| Glycinebetaine SCHEMBL7022976 | 0.83 | LMNA (0.45) | LMNAMTNR1AMTNR1BCYP2D6ADRB2 | |
| SCHEMBL31032939 | 0.73 | LMNA (0.62) | LMNAMTNR1AMTNR1BCYP2D6ADRB2 | |
| SCHEMBL787266 | 0.73 | LMNA (0.62) | LMNAMTNR1AMTNR1BCYP2D6ADRB2 | |
| SCHEMBL15866588 | 0.73 | LMNA (0.62) | LMNAMTNR1AMTNR1BCYP2D6ADRB2 | |
| Benzoic Acid SCHEMBL20919826 | 0.72 | CA2 (0.47) | LMNAADRB2ADRB1ADRB3CHRM2 | |
| Choline SCHEMBL28264962 | 0.72 | CHRM2 (0.42) | LMNACHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL17359965 | 0.72 | MTNR1A (0.62) | LMNAMTNR1AMTNR1BCYP2D6ADRB2 | |
| Ammonia Solution, Strong SCHEMBL7026341 | 0.72 | LMNA (0.60) | LMNAMTNR1AMTNR1BCYP2D6ADRB2 | |
| SCHEMBL4407070 | 0.72 | MTNR1A (0.62) | LMNAMTNR1AMTNR1BCYP2D6ADRB2 |
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 |