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 | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 8/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 7/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.44 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.44 |
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 SCHEMBL17046811 | 0.98 | CHRM1 (0.46) | CHRM1CHRM3CHRM5MAPTBLM | |
| SCHEMBL188003 | 0.91 | CHRM1 (0.52) | CHRM1CHRM3CHRM5MAPTBLM | |
| SCHEMBL30378623 | 0.91 | CHRM1 (0.52) | CHRM1CHRM3CHRM5MAPTBLM | |
| Urea SCHEMBL15993813 | 0.86 | CHRM1 (0.55) | CHRM1CHRM3CHRM5MAPTBLM | |
| Cadaverine Tartrate SCHEMBL21246910 | 0.86 | CYP3A4 (0.59) | CHRM1CHRM3CHRM5MAPTBLM | |
| SCHEMBL188001 | 0.84 | CHRM1 (0.60) | CHRM1CHRM3CHRM5MAPTBLM | |
| Cadaverine Tartrate SCHEMBL5257688 | 0.84 | MEN1 (0.55) | MAPTADRA2AADRA1ACYP3A4SLC5A7 | |
| Cadaverine Tartrate SCHEMBL2223494 | 0.84 | MEN1 (0.55) | MAPTADRA2AADRA1ACYP3A4SLC5A7 | |
| Cadaverine Tartrate SCHEMBL29697295 | 0.84 | MEN1 (0.55) | MAPTADRA2AADRA1ACYP3A4SLC5A7 | |
| Hydrochloric Acid SCHEMBL28722632 | 0.82 | CHRM1 (0.58) | CHRM1CHRM3CHRM5MAPTBLM |
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-0585349-A4 | METHOD AND APPARATUS FOR -i(IN VITRO) FERTILIZATION. | SINAI SCHOOL MEDICINE (US) | 1994-12-07 | — | — | EP | disclosed |
| EP-0585349-A1 | METHOD AND APPARATUS FOR $i(IN VITRO) FERTILIZATION | MOUNT SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF NEW YORK (US) | 1994-03-09 | — | — | EP | disclosed |
| WO-1992020359-A1 | METHOD AND APPARATUS FOR IN VITRO FERTILIZATION | MOUNT SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF NEW YORK (US) | 1992-11-26 | — | — | WO | disclosed |
| WO-1991015198-A1 | ENCAPSULATION OF ENVIRONMENTALLY SENSITIVE MATERIALS | REDDING BRUCE K JR (US) | 1991-10-17 | — | — | WO | disclosed |