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 | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 2/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 SCHEMBL9015249 | 0.90 | SCN1A (0.34) | SCN1ASCN2ASCN3ACHRM4CHRM1 | |
| Tetramethylammonium Ion SCHEMBL2428729 | 0.90 | LMNA (0.36) | SCN1ASCN2ASCN3ACHRM4CHRM1 | |
| SCHEMBL532851 | 0.88 | LMNA (0.39) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL3623440 | 0.87 | LMNA (0.38) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL7747171 | 0.87 | LMNA (0.38) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| Ammonia Solution, Strong SCHEMBL8366918 | 0.87 | LMNA (0.38) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| Tetrylammonium SCHEMBL4331836 | 0.84 | CHRM1 (0.36) | CHRM4CHRM1CHRM3CHRM2LMNA | |
| Trimethylammonium SCHEMBL9451107 | 0.84 | LMNA (0.36) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| Tetrabuthylammonium SCHEMBL4807012 | 0.82 | MEN1 (0.35) | CHRM1CHRM3CHRM2LMNACYP3A4 | |
| SCHEMBL1322622 | 0.82 | CHRM1 (0.45) | SCN1ASCN2ASCN3ACHRM4CHRM1 |
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 |