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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.41 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GRK2 | P25098 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL358111 | 0.85 | — | — | |
| Choline SCHEMBL27857086 | 0.84 | MEN1 (0.43) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonic Acid SCHEMBL3785097 | 0.83 | MEN1 (0.50) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| SCHEMBL16107569 | 0.81 | BBOX1 (0.41) | MEN1LMNAKMT2ABBOX1APAF1 | |
| Choline SCHEMBL339062 | 0.76 | MEN1 (0.63) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL2351951 | 0.76 | MEN1 (0.63) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL339064 | 0.74 | MEN1 (0.60) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL3790708 | 0.74 | MEN1 (0.60) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL3790706 | 0.74 | MEN1 (0.60) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL872580 | 0.74 | MEN1 (0.60) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414476-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. du Pont de Nemours and Company (US) | 2012-02-08 | — | — | EP | claimed |
| WO-2010117836-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-10-14 | — | — | WO | claimed |
| EP-2414476-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. du Pont de Nemours and Company (US) | 2012-02-08 | — | — | EP | disclosed |
| US-20120011886-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. DU PONT DE NEMOURS AND COMPANY | 2012-01-19 | — | — | US | disclosed |
| WO-2010117836-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-10-14 | — | — | WO | disclosed |