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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.38 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.32 |
| ▸ | AKT1 | P31749 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CDC25A | P30304 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | PRKCG | P05129 | 1/20 | 0.30 |
| ▸ | PRKCB | P05771 | 1/20 | 0.30 |
| ▸ | PRKCA | P17252 | 1/20 | 0.30 |
| ▸ | PRKCH | P24723 | 1/20 | 0.30 |
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 SCHEMBL2733734 | 0.89 | SMN1; SMN2 (0.65) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL29876695 | 0.87 | SMN1; SMN2 (0.58) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL1009005 | 0.87 | SMN1; SMN2 (0.58) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| Choline SCHEMBL16618495 | 0.83 | SMN1; SMN2 (0.51) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| SCHEMBL27446597 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL29416871 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2LMNAMEN1KMT2AALDH1A1 | |
| Silver SCHEMBL28897421 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL8882009 | 0.82 | SMN1; SMN2 (0.45) | SMN1; SMN2 | |
| SCHEMBL8884338 | 0.82 | SMN1; SMN2 (0.45) | SMN1; SMN2 | |
| Choline SCHEMBL29922745 | 0.81 | SMN1; SMN2 (0.64) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060257842-A1 | Cryopreservation media and molecules | PETTEGREW JAY W | 2006-11-16 | — | — | US | disclosed |