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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2106598 | 0.92 | NR1I2 (0.37) | NR1I2 | |
| SCHEMBL2105480 | 0.92 | NR1I2 (0.37) | NR1I2 | |
| SCHEMBL2105477 | 0.92 | NR1I2 (0.37) | NR1I2 | |
| SCHEMBL2107576 | 0.84 | NR1I2 (0.36) | NR1I2 | |
| SCHEMBL2107573 | 0.84 | NR1I2 (0.36) | NR1I2 | |
| Meglumine SCHEMBL2106632 | 0.84 | NR1I2 (0.32) | NR1I2 | |
| SCHEMBL2106572 | 0.84 | NR1I2 (0.30) | NR1I2 | |
| SCHEMBL2106568 | 0.84 | NR1I2 (0.30) | NR1I2 | |
| SCHEMBL2107669 | 0.84 | NR1I2 (0.37) | NR1I2 | |
| SCHEMBL2107671 | 0.84 | NR1I2 (0.37) | NR1I2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120164103-A1 | Compounds and Methods for the Treatment or Prevention of Flavivirus Infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-06-28 | — | — | US | claimed |
| US-7569600-B2 | Compounds and methods for the treatment of prevention of Flavivirus infections | VIROCHEM PHARMA INC. (CA) | 2009-08-04 | — | — | US | claimed |
| EP-1879879-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Virochem Pharma Inc. (CA) | 2008-01-23 | — | — | EP | claimed |
| US-20060276533-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2006-12-07 | — | — | US | claimed |
| WO-2006119646-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC. (CA) | 2006-11-16 | — | — | WO | claimed |
| US-8674118-B2 | Compounds and methods for the treatment or prevention of flavivirus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-18 | — | — | US | disclosed |
| EP-1879879-B1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2013-03-27 | — | — | EP | disclosed |
| EP-2546246-A2 | Compounds and methods for the treatment or prevention of flavivirus infections | Virochem Pharma Inc. (CA) | 2013-01-16 | — | — | EP | disclosed |
| EP-2543664-A1 | Compounds and methods for the treatment or prevention of flavivirus infections | Virochem Pharma Inc. (CA) | 2013-01-09 | — | — | EP | disclosed |
| US-20120164103-A1 | Compounds and Methods for the Treatment or Prevention of Flavivirus Infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-06-28 | — | — | US | disclosed |
| US-8158675-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-04-17 | — | — | US | disclosed |
| US-20100093775-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC. (CA) | 2010-04-15 | — | — | US | disclosed |
| US-7569600-B2 | Compounds and methods for the treatment of prevention of Flavivirus infections | VIROCHEM PHARMA INC. (CA) | 2009-08-04 | — | — | US | disclosed |
| US-20060276533-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2006-12-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120164103-A1 | Compounds and Methods for the Treatment or Prevention of Flavivirus Infections | ZC3HAV1, YBX1, HAX1 | NR1I2 441/4885 |
| US-20100093775-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | ZC3HAV1, YBX1, HAX1 | NR1I2 441/4885 |
| US-20060276533-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | ZC3HAV1, YBX1, HAX1 | NR1I2 441/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.