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 | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.55 |
| ▸ | F3 | P13726 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL145712 | 0.85 | F3 (0.72) | GSK3BF3THRBATMHDAC3 | |
| SCHEMBL145711 | 0.85 | F3 (0.72) | GSK3BF3THRBATMHDAC3 | |
| Choline SCHEMBL11329504 | 0.84 | MAPT (0.46) | RAB9ANPC1MAOBMAOAMAPT | |
| Choline SCHEMBL11326935 | 0.82 | GLA (0.47) | F3HDAC3HDAC1HDAC2HDAC8 | |
| Choline SCHEMBL11127127 | 0.78 | CA1 (0.49) | GSK3BHDAC3HDAC1HDAC2HDAC8 | |
| Ethyl Acetate SCHEMBL16774556 | 0.76 | L3MBTL1 (0.56) | GSK3BF3THRBATMHDAC3 | |
| Toluene SCHEMBL16766951 | 0.75 | RELA (0.61) | GSK3BF3THRBATMHDAC3 | |
| Toluene SCHEMBL16766953 | 0.75 | RELA (0.61) | GSK3BF3THRBATMHDAC3 | |
| Hydrochloric Acid SCHEMBL11333791 | 0.75 | LMNA (0.65) | GSK3BF3THRBATMHDAC3 | |
| Hydrochloric Acid SCHEMBL11333788 | 0.75 | LMNA (0.65) | GSK3BF3THRBATMHDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4271310-A | Method of determining cholinesterase activity and choline derivatives for use in the method | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1981-06-02 | — | — | US | claimed |
| US-4271310-A | Method of determining cholinesterase activity and choline derivatives for use in the method | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1981-06-02 | — | — | US | disclosed |