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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL358112 | 0.85 | — | — | |
| Choline SCHEMBL357235 | 0.84 | MEN1 (0.41) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| SCHEMBL16107570 | 0.82 | DNM1 (0.38) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL28047635 | 0.82 | MEN1 (0.52) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonic Acid SCHEMBL29160398 | 0.80 | CYP3A4 (0.56) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Propylene Glycol SCHEMBL575268 | 0.79 | TDP1 (0.42) | — | |
| 1,4-Butanediol SCHEMBL576160 | 0.78 | ATR (0.32) | — | |
| 1,3-Propanediol SCHEMBL575506 | 0.78 | ATR (0.32) | — | |
| SCHEMBL321209 | 0.77 | ALDH1A1 (0.39) | — | |
| Choline SCHEMBL28499286 | 0.76 | CYP3A4 (0.50) | MEN1LMNAKMT2ACYP3A4SLC5A7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102449101-A | Ionic compounds in lithium bromide/water absorption cycle systems | DU PONT | 2012-05-09 | — | — | CN | claimed |
| CN-102449101-A | Ionic compounds in lithium bromide/water absorption cycle systems | DU PONT | 2012-05-09 | — | — | CN | disclosed |