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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 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 | |
|---|---|---|---|---|
| Choline SCHEMBL9015236 | 0.90 | SCN1A (0.35) | SCN1ASCN2ASCN3ACHRM2CHRM4 | |
| Tetramethylammonium Ion SCHEMBL2428732 | 0.90 | LMNA (0.34) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL9685838 | 0.87 | CHRM2 (0.32) | SCN1ASCN2ASCN3ACHRM2CHRM4 | |
| Cetrimonium SCHEMBL9771961 | 0.87 | CHRM2 (0.36) | SCN1ASCN2ASCN3ACHRM2CHRM4 | |
| Tetrylammonium SCHEMBL4331841 | 0.85 | CHRM2 (0.35) | CHRM2CHRM1CHRM3 | |
| Tetrabuthylammonium SCHEMBL1350364 | 0.83 | MEN1 (0.34) | CHRM2CHRM1CHRM3 | |
| SCHEMBL8350821 | 0.82 | MEN1 (0.35) | CHRM2CHRM1CHRM3 | |
| Choline SCHEMBL1092323 | 0.82 | CHRM2 (0.33) | CHRM2CHRM4CHRM1CHRM3 | |
| Tetramethylammonium Ion SCHEMBL2428729 | 0.79 | LMNA (0.36) | SCN1ASCN2ASCN3ACHRM2CHRM4 | |
| Miristalkonium Ion SCHEMBL9686848 | 0.79 | DNM1 (0.52) | CHRM2CHRM4CHRM1CHRM3 |
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-0572524-B1 | RED SENSITIVE PHOTOPOLYMERIZABLE COMPOSITIONS | DU PONT (US) | 1996-12-18 | — | — | EP | disclosed |
| EP-0569488-A1 | BORATE COINITIATORS FOR PHOTOPOLYMERIZABLE COMPOSITIONS. | DU PONT (US) | 1993-11-18 | — | — | EP | disclosed |
| US-5147758-A | Containing squarylium dye, boron anion initiator | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-09-15 | — | — | US | disclosed |
| WO-1992013900-A1 | BORATE COINITIATORS FOR PHOTOPOLYMERIZABLE COMPOSITIONS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-08-20 | — | — | WO | disclosed |