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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | EEF2K | O00418 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7193575 | 0.88 | PTGS2 (0.70) | PTGS2PTGS1GAAMEN1ALDH1A1 | |
| Choline SCHEMBL7698141 | 0.86 | PTGS2 (0.77) | PTGS2PTGS1GAA | |
| Choline SCHEMBL7698143 | 0.86 | PTGS2 (0.77) | PTGS2PTGS1GAA | |
| SCHEMBL3667218 | 0.72 | PTGS2 (1.00) | PTGS2PTGS1GAAALOX5 | |
| SCHEMBL3667216 | 0.72 | PTGS2 (1.00) | PTGS2PTGS1GAAALOX5 | |
| SCHEMBL8962138 | 0.72 | PTGS2 (1.00) | PTGS2PTGS1GAAALOX5 | |
| SCHEMBL8619011 | 0.72 | PTGS2 (0.44) | PTGS2PTGS1GAAMEN1ALDH1A1 | |
| SCHEMBL5828164 | 0.69 | CSNK2A1 (0.49) | PTGS2PTGS1GAAMEN1KMT2A | |
| SCHEMBL7697044 | 0.67 | PTGS2 (1.00) | PTGS2PTGS1GAAMEN1ALDH1A1 | |
| SCHEMBL7697041 | 0.67 | PTGS2 (1.00) | PTGS2PTGS1GAAMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6420428-B1 | TREATING HEPATITIS C AND HEPATIC FIBROSIS USING 2,6-DI-TERT-BUTYLPHENOL DERIVATIVES; EFFECTIVE IN SUBJECTS WITH INTERFERON INSUSCEPTIBILITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-07-16 | — | — | US | disclosed |
| US-6369097-B1 | Treatment and prevention of hepatic disorders | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-04-09 | — | — | US | disclosed |
| US-6348493-B1 | TREATMENT OF HEPATITIS C BY ADMINISTERING 2,6-DI-TER-BUTYLPHENOL | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-02-19 | — | — | US | disclosed |
| US-6218437-B1 | ADMINISTERING A THERAPEUTIC AMOUNT OF DI-TERT-BUTYLPHENOL DERIVATIVE TO SUBJECT UNDER CONDITIONS SUCH THAT SAID SYMPTOMS ARE DIMINISHED | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2001-04-17 | — | — | US | disclosed |
| WO-2001021166-A1 | TREATMENT AND PREVENTION OF HEPATIC DISORDERS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2001-03-29 | — | — | WO | disclosed |