Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 10/20 | 0.80 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
| ▸ | VDR | P11473 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.64 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.64 |
| ▸ | USP2 | O75604 | 1/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.63 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL23483145 | 1.00 | GPBAR1 (0.80) | GPBAR1NR1H4CYP2C9HIF1AVDR | |
| SCHEMBL19781078 | 1.00 | GPBAR1 (0.80) | GPBAR1NR1H4CYP2C9HIF1AVDR | |
| SCHEMBL20208271 | 1.00 | GPBAR1 (0.80) | GPBAR1NR1H4CYP2C9HIF1AVDR | |
| SCHEMBL25947987 | 1.00 | GPBAR1 (0.80) | GPBAR1NR1H4CYP2C9HIF1AVDR | |
| SCHEMBL17303273 | 0.90 | GPBAR1 (0.70) | GPBAR1NR1H4CYP3A4MEN1KMT2A | |
| SCHEMBL24999603 | 0.89 | GPBAR1 (1.00) | GPBAR1NR1H4CYP2C9HIF1AVDR | |
| SCHEMBL22079612 | 0.89 | GPBAR1 (1.00) | GPBAR1NR1H4CYP2C9HIF1AVDR | |
| SCHEMBL23424218 | 0.89 | GPBAR1 (1.00) | GPBAR1NR1H4CYP2C9HIF1AVDR | |
| SCHEMBL22079590 | 0.89 | GPBAR1 (1.00) | GPBAR1NR1H4CYP2C9HIF1AVDR | |
| SCHEMBL21283696 | 0.89 | GPBAR1 (1.00) | GPBAR1NR1H4CYP2C9HIF1AVDR |
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 |