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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GRK2 | P25098 | 1/20 | 0.31 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2354164 | 0.82 | EPHX1 (0.41) | CA2CA1MAPK1SMN1; SMN2EPHX1 | |
| Trifluoromethanesulfonic Acid SCHEMBL28047635 | 0.81 | MEN1 (0.52) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonic Acid SCHEMBL29160398 | 0.79 | CYP3A4 (0.56) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonamide SCHEMBL28047774 | 0.79 | LMNA (0.50) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonamide SCHEMBL28047636 | 0.79 | LMNA (0.50) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonic Acid SCHEMBL3785097 | 0.79 | MEN1 (0.50) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| SCHEMBL28776309 | 0.79 | EPHX1 (0.41) | LMNACA2CA1MAPK1SMN1; SMN2 | |
| Choline SCHEMBL933567 | 0.76 | MEN1 (0.46) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| SCHEMBL303520 | 0.76 | DNM1 (0.54) | MEN1LMNAKMT2ASMN1; SMN2EPHX1 | |
| SCHEMBL303081 | 0.76 | DNM1 (0.54) | MEN1LMNAKMT2ASMN1; SMN2EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114570219-A | Pollution-resistant separation membrane with ionic liquid layer on surface and preparation method thereof | 浙江大学 | 2022-06-03 | — | — | CN | disclosed |