Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 12/20 | 1.00 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 1.00 |
| ▸ | SLC10A2 | Q12908 | 3/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 2/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 2/20 | 1.00 |
| ▸ | ENPP2 | Q13822 | 2/20 | 1.00 |
| ▸ | PLA2G1B | P04054 | 1/20 | 1.00 |
| ▸ | SLC10A1 | Q14973 | 6/20 | 0.89 |
| ▸ | VDR | P11473 | 1/20 | 0.79 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| Taurochenodeoxycholate SCHEMBL9152921 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL4411471 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL13094131 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL12917602 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL24001493 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL40763 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL24435723 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL24015433 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL17309129 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 | |
| Taurochenodeoxycholate SCHEMBL19360984 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4SLC10A2ABCC4ABCB11 |
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-2016045642-A1 | POLYMERIC BILE ACID DERIVATIVES INHIBIT HEPATITIS B AND D VIRUS AND NTCP TRANSPORT | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2016-03-31 | — | — | WO | disclosed |