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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 10/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 3/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 SCHEMBL9015244 | 0.88 | CHRM2 (0.38) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| Tetramethylammonium Ion SCHEMBL2428731 | 0.87 | KIF11 (0.44) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| SCHEMBL9685834 | 0.86 | KIF11 (0.36) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| Lithium Ion SCHEMBL3623447 | 0.83 | KIF11 (0.48) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9686702 | 0.83 | KDM4E (0.45) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| SCHEMBL1092325 | 0.81 | SCN1A (0.41) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| Tetrylammonium SCHEMBL3297055 | 0.81 | KIF11 (0.41) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| Tetrabuthylammonium SCHEMBL125284 | 0.80 | KIF11 (0.38) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| Choline SCHEMBL9015229 | 0.77 | KIF11 (0.43) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| Tetramethylammonium Ion SCHEMBL1146377 | 0.76 | KIF11 (0.44) | CHRM2CHRM4CHRM1CHRM3CHRM5 |
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 |