Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Glycoursodeoxycholic Acid. 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 | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 11/20 | 0.83 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.83 |
| ▸ | ABCB11 | O95342 | 5/20 | 0.83 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.83 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.74 |
| ▸ | SLC10A2 | Q12908 | 4/20 | 0.72 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.72 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.71 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.71 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Glycoursodeoxycholic Acid SCHEMBL7206212 | 0.98 | GPBAR1 (0.83) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| Glycoursodeoxycholic Acid SCHEMBL29366725 | 0.98 | GPBAR1 (0.83) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| Glycoursodeoxycholic Acid SCHEMBL61042 | 0.98 | GPBAR1 (0.83) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| Glycoursodeoxycholic Acid SCHEMBL2020307 | 0.97 | GPBAR1 (0.82) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| Glycoursodeoxycholic Acid SCHEMBL9151495 | 0.91 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| Glycochenodeoxycholate SCHEMBL236354 | 0.91 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| Glycoursodeoxycholic Acid SCHEMBL12917601 | 0.91 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| Glycoursodeoxycholic Acid SCHEMBL59881 | 0.91 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| Glycoursodeoxycholic Acid SCHEMBL10694925 | 0.91 | GPBAR1 (1.00) | GPBAR1NR1H4ABCB11ENPP2NR3C1 | |
| SCHEMBL19104663 | 0.91 | GPBAR1 (0.86) | GPBAR1NR1H4ABCB11ENPP2NR3C1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2385826-A2 | METHODS AND MATERIALS FOR DELIVERING BILE ACIDS | Mayo Foundation for Medical Education and Research (US) | 2011-11-16 | — | — | EP | disclosed |
| US-20110268794-A1 | METHODS AND MATERIALS FOR DELIVERING BILE ACIDS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH | 2011-11-03 | — | — | US | disclosed |
| US-8040957-B2 | Adaptive filtering based upon boundary strength | SHARP KABUSHIKI KAISHA (JP) | 2011-10-18 | — | — | US | disclosed |
| WO-2010080730-A2 | METHODS AND MATERIALS FOR DELIVERING BILE ACIDS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2010-07-15 | — | — | WO | disclosed |