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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | GALR3 | O60755 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 SCHEMBL28566318 | 0.98 | CYP3A4 (0.59) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL3784402 | 0.84 | LMNA (0.52) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Pivalate SCHEMBL27641475 | 0.83 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL15993849 | 0.82 | CYP3A4 (0.56) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL15993791 | 0.82 | LMNA (0.56) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL15994029 | 0.82 | LMNA (0.50) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL15994026 | 0.82 | CYP3A4 (0.56) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL15993799 | 0.82 | CYP3A4 (0.56) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL2445125 | 0.82 | LMNA (0.71) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL15993937 | 0.80 | CYP3A4 (0.54) | LMNAMEN1KMT2ACYP3A4SLC5A7 |
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-105503540-A | Method for preparation of benzene ring phenol compound from alkali lignin | DALIAN INST CHEMICAL PHYSICS CAS | 2016-04-20 | — | — | CN | claimed |
| CN-105503540-A | Method for preparation of benzene ring phenol compound from alkali lignin | DALIAN INST CHEMICAL PHYSICS CAS | 2016-04-20 | — | — | CN | disclosed |