Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 2/20 | 0.66 |
| ▸ | GLA | P06280 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | CA1 | P00915 | 9/20 | 0.44 |
| ▸ | CA2 | P00918 | 9/20 | 0.44 |
| ▸ | CA9 | Q16790 | 8/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
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 SCHEMBL3462660 | 1.00 | RECQL (0.66) | RECQLGLAHPGDTSHRMAPK1 | |
| Choline SCHEMBL18167407 | 1.00 | RECQL (0.66) | RECQLGLAHPGDTSHRMAPK1 | |
| Choline SCHEMBL3462478 | 1.00 | RECQL (0.66) | RECQLGLAHPGDTSHRMAPK1 | |
| Choline SCHEMBL3462598 | 1.00 | RECQL (0.66) | RECQLGLAHPGDTSHRMAPK1 | |
| Choline SCHEMBL3462565 | 1.00 | RECQL (0.66) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL2920648 | 0.90 | RECQL (0.66) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL6053488 | 0.90 | RECQL (0.70) | RECQLGLAHPGDTSHRMAPK1 | |
| Cetrimonium SCHEMBL9786830 | 0.89 | RECQL (0.65) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL11070921 | 0.88 | RECQL (0.72) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL4411991 | 0.88 | RECQL (0.72) | RECQLGLAHPGDTSHRMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2216326-B1 | Biologically acceptable choline compounds and their use as tensides | UNIV REGENSBURG (DE) | 2013-09-25 | — | — | EP | claimed |
| EP-2216326-B1 | Biologically acceptable choline compounds and their use as tensides | UNIV REGENSBURG (DE) | 2013-09-25 | — | — | EP | disclosed |
| EP-2216326-A2 | Biologically acceptable choline compounds and their use as tensides | Universität Regensburg (DE) | 2010-08-11 | — | — | EP | disclosed |