Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Chenodiol. 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 | |
|---|---|---|---|---|
| ▸ | NR1H4 known ✓ | Q96RI1 | 4/20 | 0.81 |
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.81 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.81 |
| ▸ | MEN1 | O00255 | 3/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.81 |
| ▸ | LMNA | P02545 | 3/20 | 0.81 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.81 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.81 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.81 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.81 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.81 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.81 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.81 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.77 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.77 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.77 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.77 |
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 | |
|---|---|---|---|---|
| Ursodiol SCHEMBL288121 | 1.00 | GPBAR1 (0.81) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Chenodiol SCHEMBL2638869 | 0.94 | GPBAR1 (0.89) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Ursodiol SCHEMBL517849 | 0.94 | GPBAR1 (0.89) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Lithocholic Acid SCHEMBL288628 | 0.93 | GPBAR1 (0.88) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Cholic Acid SCHEMBL288946 | 0.93 | GPBAR1 (0.78) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Cholic Acid SCHEMBL437268 | 0.93 | GPBAR1 (0.78) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Chenodiol SCHEMBL25337648 | 0.90 | GPBAR1 (1.00) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Chenodiol SCHEMBL25397934 | 0.90 | GPBAR1 (1.00) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Chenodiol SCHEMBL24199134 | 0.90 | GPBAR1 (1.00) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| Chenodiol SCHEMBL23517166 | 0.90 | GPBAR1 (1.00) | GPBAR1NR1H4TDP1MEN1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427773-B1 | METHOD OF DIAGNOSING ASPHYXIA | INFANDX AG (DE) | 2016-07-06 | — | — | EP | disclosed |
| EP-2449488-B1 | METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES | BIOCRATES LIFE SCIENCES AG (AT) | 2015-01-14 | — | — | EP | disclosed |
| EP-2449488-A1 | METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES | BIOCRATES Life Sciences AG (AT) | 2012-05-09 | — | — | EP | disclosed |
| EP-2427773-A1 | METHOD OF DIAGNOSING ASPHYXIA | Keller, Matthias (DE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2011000753-A1 | METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES | BIOCRATES LIFE SCIENCES AG (AT) | 2011-01-06 | — | — | WO | disclosed |
| EP-2270699-A1 | Method for normalization in metabolomics analysis methods with endogenous reference metabolites | BIOCRATES Life Sciences AG (AT) | 2011-01-05 | — | — | EP | disclosed |
| WO-2010128054-A1 | METHOD OF DIAGNOSING ASPHYXIA | BIOCRATES LIFE SCIENCES AG (AT) | 2010-11-11 | — | — | WO | disclosed |