Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 10/20 | 0.75 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.69 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.69 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.69 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.69 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.69 |
| ▸ | CASP7 | P55210 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL24208313 | 1.00 | GPBAR1 (0.75) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL1656467 | 0.90 | GPBAR1 (0.79) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL5084428 | 0.90 | GPBAR1 (0.79) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL22717115 | 0.90 | GPBAR1 (0.79) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL4622117 | 0.90 | GPBAR1 (0.79) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL22079146 | 0.86 | GPBAR1 (0.75) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL24208294 | 0.86 | GPBAR1 (0.75) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL22714149 | 0.86 | GPBAR1 (1.00) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL22714147 | 0.86 | GPBAR1 (1.00) | GPBAR1NR1H4TDP1MEN1KMT2A | |
| SCHEMBL22738768 | 0.86 | GPBAR1 (1.00) | GPBAR1NR1H4TDP1MEN1KMT2A |
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-2020117945-A1 | SYNTHETIC DERIVATIVES OF CHOLIC ACID 7-SULFATE AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-11 | — | — | WO | disclosed |