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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
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 SCHEMBL22345960 | 0.98 | LMNA (0.55) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL14742052 | 0.86 | LMNA (0.52) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Methylmalonic Acid SCHEMBL29222731 | 0.86 | CYP3A4 (0.59) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL15323073 | 0.86 | CYP3A4 (0.59) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL2787343 | 0.86 | LMNA (0.57) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL29287550 | 0.85 | CYP3A4 (0.52) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Valine SCHEMBL28202877 | 0.85 | SLC7A5 (0.60) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL29441891 | 0.84 | LMNA (0.50) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL3820379 | 0.84 | MEN1 (0.55) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Threonine SCHEMBL28187537 | 0.84 | LMNA (0.44) | CYP3A4SLC5A7LMNAMEN1KMT2A |
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-115678935-A | Biological preparation method of key chiral intermediate of tirostanol ethyl ester | 浙江工业大学 | 2023-02-03 | — | — | CN | claimed |
| CN-115678935-A | Biological preparation method of key chiral intermediate of tirostanol ethyl ester | 浙江工业大学 | 2023-02-03 | — | — | CN | disclosed |