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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 known ✓ | Q96RI1 | 7/20 | 1.00 |
| ▸ | GPBAR1 | Q8TDU6 | 14/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 3/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 1.00 |
| ▸ | ENPP2 | Q13822 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | CHRM2 | P08172 | 1/20 | 1.00 |
| ▸ | ADRA2A | P08913 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 1.00 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 1.00 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.78 |
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 | |
|---|---|---|---|---|
| Chenodiol SCHEMBL22079588 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL24199134 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL23517166 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL22079179 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL25337643 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL25397934 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL24061005 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL23704676 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL25337648 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A | |
| Chenodiol SCHEMBL22062318 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021258042-A1 | POLYMERIC BILE ACID ESTER NANOPARTICLES COMPRISING AN IMMUNOMODULATOR AGENT TO INDUCE ANTIGEN-SPECIFIC TOLERANCE | YALE UNIVERSITY (US) | 2021-12-23 | — | — | WO | disclosed |