Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 11/20 | 0.74 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.74 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.59 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.59 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.59 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL17641191 | 0.90 | GPBAR1 (0.61) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL19360955 | 0.90 | GPBAR1 (0.79) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL19360886 | 0.90 | GPBAR1 (0.79) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL20208271 | 0.89 | GPBAR1 (0.80) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL17641285 | 0.89 | GPBAR1 (0.80) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL23483145 | 0.89 | GPBAR1 (0.80) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL25947987 | 0.89 | GPBAR1 (0.80) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL19781078 | 0.89 | GPBAR1 (0.80) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL26425829 | 0.87 | GPBAR1 (0.75) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL25946532 | 0.87 | GPBAR1 (0.58) | GPBAR1NR1H4MEN1KMT2AABCB11 |
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 |